Tungsten in PDB 6gnl: Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)

All present enzymatic activity of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl):
3.2.1.17;

The structure of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl), PDB code: 6gnl was solved by L.Vandebroek, L.Van Meervelt, T.N.Parac-Vogt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.85 / 1.23
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.701, 77.701, 37.866, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.1

The structure of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) also contains other interesting chemical elements:

Zirconium	(Zr)	3 atoms
Chlorine	(Cl)	3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 33;

Binding sites:

The binding sites of Tungsten atom in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) (pdb code 6gnl). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 33 binding sites of Tungsten where determined in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl), PDB code: 6gnl:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 33 in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) within 5.0Å range: probe atom residue distance (Å) B Occ A:W201 b:23.0 occ:0.29 W22 A:ZKG201 0.0 23.0 0.3 O74 A:ZKG201 1.7 23.0 0.3 O67 A:ZKG201 1.9 23.0 0.3 O73 A:ZKG201 1.9 23.0 0.3 O68 A:ZKG201 1.9 23.0 0.3 O69 A:ZKG201 2.0 23.0 0.3 O62 A:ZKG201 2.4 23.0 0.3 W21 A:ZKG201 3.4 23.0 0.3 W20 A:ZKG201 3.5 23.0 0.3 P2 A:ZKG201 3.5 23.0 0.3 O71 A:ZKG201 3.6 23.0 0.3 O57 A:ZKG201 3.6 23.0 0.3 W19 A:ZKG201 3.7 23.0 0.3 W18 A:ZKG201 3.7 23.0 0.3 O61 A:ZKG201 3.7 23.0 0.3 HB3 A:ARG45 3.8 23.4 1.0 O66 A:ZKG201 3.8 23.0 0.3 O63 A:ZKG201 3.8 23.0 0.3 O59 A:ZKG201 3.9 23.0 0.3 HG22 A:THR47 3.9 31.8 1.0 O A:ARG45 3.9 19.3 1.0 HA A:THR47 3.9 27.8 1.0 HG2 A:ARG45 4.0 31.0 1.0 HG3 A:ARG45 4.0 31.0 1.0 O A:HOH332 4.2 52.2 0.7 O A:ASN46 4.2 19.2 0.6 C A:ASN46 4.3 16.0 0.6 O55 A:ZKG201 4.3 23.0 0.3 CG A:ARG45 4.3 25.8 1.0 O47 A:ZKG201 4.3 23.0 0.3 C A:ARG45 4.4 16.4 1.0 C A:ASN46 4.5 20.8 0.4 N A:THR47 4.5 20.9 1.0 O56 A:ZKG201 4.5 23.0 0.3 CB A:ARG45 4.5 19.5 1.0 HA A:ASN46 4.5 21.1 0.4 HA A:ASN46 4.5 23.1 0.6 HG23 A:THR47 4.5 31.8 1.0 O58 A:ZKG201 4.6 23.0 0.3 CG2 A:THR47 4.6 26.5 1.0 O72 A:ZKG201 4.7 23.0 0.3 CA A:THR47 4.7 23.2 1.0 O70 A:ZKG201 4.7 23.0 0.3 O A:ASN46 4.7 14.2 0.4 H A:THR47 4.7 25.1 0.4 CA A:ASN46 4.8 19.2 0.6 O65 A:ZKG201 4.8 23.0 0.3 N A:ASN46 4.8 16.6 0.4 N A:ASN46 4.8 15.5 0.6 CA A:ASN46 4.8 17.6 0.4 H A:THR47 4.9 25.1 0.6 O60 A:ZKG201 4.9 23.0 0.3 O64 A:ZKG201 4.9 23.0 0.3

Tungsten binding site 2 out of 33 in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) within 5.0Å range: probe atom residue distance (Å) B Occ A:W201 b:23.0 occ:0.29 W20 A:ZKG201 0.0 23.0 0.3 O70 A:ZKG201 1.7 23.0 0.3 O64 A:ZKG201 1.9 23.0 0.3 O71 A:ZKG201 1.9 23.0 0.3 O69 A:ZKG201 1.9 23.0 0.3 O63 A:ZKG201 2.0 23.0 0.3 O62 A:ZKG201 2.4 23.0 0.3 O A:HOH332 2.7 52.2 0.7 HB3 A:ARG45 3.0 23.4 1.0 W21 A:ZKG201 3.4 23.0 0.3 W22 A:ZKG201 3.5 23.0 0.3 O73 A:ZKG201 3.5 23.0 0.3 P2 A:ZKG201 3.5 23.0 0.3 O49 A:ZKG201 3.5 23.0 0.3 W15 A:ZKG201 3.7 23.0 0.3 W14 A:ZKG201 3.7 23.0 0.3 O65 A:ZKG201 3.7 23.0 0.3 O60 A:ZKG201 3.8 23.0 0.3 O68 A:ZKG201 3.9 23.0 0.3 O59 A:ZKG201 3.9 23.0 0.3 CB A:ARG45 3.9 19.5 1.0 HG2 A:ARG45 4.1 31.0 1.0 HB2 A:ARG45 4.2 23.4 1.0 O51 A:ZKG201 4.3 23.0 0.3 H A:ARG45 4.3 17.8 0.5 H A:ARG45 4.3 17.8 0.5 O47 A:ZKG201 4.4 23.0 0.3 O A:HOH332 4.4 7.6 0.3 O48 A:ZKG201 4.5 23.0 0.3 CG A:ARG45 4.6 25.8 1.0 O50 A:ZKG201 4.6 23.0 0.3 O72 A:ZKG201 4.6 23.0 0.3 O74 A:ZKG201 4.7 23.0 0.3 O A:ARG45 4.7 19.3 1.0 O66 A:ZKG201 4.8 23.0 0.3 O61 A:ZKG201 4.8 23.0 0.3 O67 A:ZKG201 4.9 23.0 0.3 HG3 A:ARG45 4.9 31.0 1.0 CA A:ARG45 4.9 15.4 1.0 W16 A:ZKG201 4.9 23.0 0.3 N A:ARG45 5.0 14.9 1.0

Tungsten binding site 3 out of 33 in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) within 5.0Å range: probe atom residue distance (Å) B Occ A:W201 b:23.0 occ:0.29 W21 A:ZKG201 0.0 23.0 0.3 O72 A:ZKG201 1.7 23.0 0.3 O66 A:ZKG201 1.9 23.0 0.3 O73 A:ZKG201 1.9 23.0 0.3 O65 A:ZKG201 1.9 23.0 0.3 O71 A:ZKG201 2.0 23.0 0.3 O62 A:ZKG201 2.4 23.0 0.3 W20 A:ZKG201 3.4 23.0 0.3 W22 A:ZKG201 3.4 23.0 0.3 P2 A:ZKG201 3.6 23.0 0.3 O53 A:ZKG201 3.6 23.0 0.3 O69 A:ZKG201 3.6 23.0 0.3 W16 A:ZKG201 3.7 23.0 0.3 HG2 A:ARG45 3.7 31.0 1.0 W17 A:ZKG201 3.8 23.0 0.3 O61 A:ZKG201 3.8 23.0 0.3 O64 A:ZKG201 3.9 23.0 0.3 O67 A:ZKG201 3.9 23.0 0.3 O60 A:ZKG201 3.9 23.0 0.3 O55 A:ZKG201 4.3 23.0 0.3 O51 A:ZKG201 4.4 23.0 0.3 HB3 A:ARG45 4.5 23.4 1.0 CG A:ARG45 4.6 25.8 1.0 O52 A:ZKG201 4.6 23.0 0.3 O54 A:ZKG201 4.6 23.0 0.3 O74 A:ZKG201 4.6 23.0 0.3 O70 A:ZKG201 4.7 23.0 0.3 HG3 A:ARG45 4.9 31.0 1.0 O63 A:ZKG201 4.9 23.0 0.3 O68 A:ZKG201 4.9 23.0 0.3 O59 A:ZKG201 4.9 23.0 0.3

Tungsten binding site 4 out of 33 in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) within 5.0Å range: probe atom residue distance (Å) B Occ A:W201 b:23.0 occ:0.29 W18 A:ZKG201 0.0 23.0 0.3 O78 A:ZKG201 1.7 23.0 0.3 O56 A:ZKG201 1.7 23.0 0.3 O55 A:ZKG201 1.9 23.0 0.3 O57 A:ZKG201 2.0 23.0 0.3 O67 A:ZKG201 2.0 23.0 0.3 O61 A:ZKG201 2.3 23.0 0.3 W17 A:ZKG201 3.4 23.0 0.3 O77 A:ZKG201 3.5 23.0 0.3 P2 A:ZKG201 3.5 23.0 0.3 O68 A:ZKG201 3.6 23.0 0.3 HG22 A:THR47 3.6 31.8 1.0 ZR1 A:ZKG201 3.7 23.0 0.3 W22 A:ZKG201 3.7 23.0 0.3 W19 A:ZKG201 3.7 23.0 0.3 O75 A:ZKG201 3.9 23.0 0.3 O59 A:ZKG201 3.9 23.0 0.3 O66 A:ZKG201 3.9 23.0 0.3 O62 A:ZKG201 3.9 23.0 0.3 O A:HOH301 4.1 34.9 0.7 O46 A:ZKG201 4.4 23.0 0.3 O73 A:ZKG201 4.5 23.0 0.3 CG2 A:THR47 4.6 26.5 1.0 O58 A:ZKG201 4.6 23.0 0.3 O74 A:ZKG201 4.6 23.0 0.3 O54 A:ZKG201 4.7 23.0 0.3 HG21 A:THR47 4.7 31.8 1.0 O53 A:ZKG201 4.8 23.0 0.3 O76 A:ZKG201 4.8 23.0 0.3 O60 A:ZKG201 4.9 23.0 0.3

Tungsten binding site 5 out of 33 in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) within 5.0Å range: probe atom residue distance (Å) B Occ A:W201 b:23.0 occ:0.29 W17 A:ZKG201 0.0 23.0 0.3 O54 A:ZKG201 1.7 23.0 0.3 O77 A:ZKG201 1.8 23.0 0.3 O55 A:ZKG201 1.9 23.0 0.3 O53 A:ZKG201 1.9 23.0 0.3 O66 A:ZKG201 2.0 23.0 0.3 O61 A:ZKG201 2.3 23.0 0.3 W18 A:ZKG201 3.4 23.0 0.3 O78 A:ZKG201 3.4 23.0 0.3 P2 A:ZKG201 3.5 23.0 0.3 O65 A:ZKG201 3.7 23.0 0.3 W16 A:ZKG201 3.7 23.0 0.3 ZR1 A:ZKG201 3.7 23.0 0.3 W21 A:ZKG201 3.8 23.0 0.3 O76 A:ZKG201 3.8 23.0 0.3 O60 A:ZKG201 3.9 23.0 0.3 O67 A:ZKG201 3.9 23.0 0.3 O62 A:ZKG201 3.9 23.0 0.3 O45 A:ZKG201 4.4 23.0 0.3 O73 A:ZKG201 4.5 23.0 0.3 O56 A:ZKG201 4.6 23.0 0.3 O52 A:ZKG201 4.6 23.0 0.3 O72 A:ZKG201 4.7 23.0 0.3 O59 A:ZKG201 4.9 23.0 0.3 O57 A:ZKG201 4.9 23.0 0.3 O75 A:ZKG201 4.9 23.0 0.3 W13 A:ZKG201 5.0 23.0 0.3

Tungsten binding site 6 out of 33 in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) within 5.0Å range: probe atom residue distance (Å) B Occ A:W201 b:23.0 occ:0.29 W13 A:ZKG201 0.0 23.0 0.3 O76 A:ZKG201 1.7 23.0 0.3 O42 A:ZKG201 1.7 23.0 0.3 O41 A:ZKG201 1.9 23.0 0.3 O45 A:ZKG201 1.9 23.0 0.3 O44 A:ZKG201 2.0 23.0 0.3 O60 A:ZKG201 2.4 23.0 0.3 W15 A:ZKG201 3.5 23.0 0.3 W16 A:ZKG201 3.5 23.0 0.3 P2 A:ZKG201 3.6 23.0 0.3 O51 A:ZKG201 3.6 23.0 0.3 W12 A:ZKG201 3.6 23.0 0.3 O75 A:ZKG201 3.6 23.0 0.3 ZR1 A:ZKG201 3.8 23.0 0.3 O53 A:ZKG201 3.8 23.0 0.3 O59 A:ZKG201 3.9 23.0 0.3 O49 A:ZKG201 3.9 23.0 0.3 O61 A:ZKG201 4.1 23.0 0.3 O77 A:ZKG201 4.4 23.0 0.3 O43 A:ZKG201 4.5 23.0 0.3 O40 A:ZKG201 4.6 23.0 0.3 O52 A:ZKG201 4.7 23.0 0.3 O50 A:ZKG201 4.7 23.0 0.3 O65 A:ZKG201 4.9 23.0 0.3 O64 A:ZKG201 4.9 23.0 0.3 O62 A:ZKG201 4.9 23.0 0.3 W17 A:ZKG201 5.0 23.0 0.3

Tungsten binding site 7 out of 33 in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) within 5.0Å range: probe atom residue distance (Å) B Occ A:W201 b:23.0 occ:0.29 W16 A:ZKG201 0.0 23.0 0.3 O52 A:ZKG201 1.7 23.0 0.3 O53 A:ZKG201 1.9 23.0 0.3 O65 A:ZKG201 1.9 23.0 0.3 O51 A:ZKG201 2.0 23.0 0.3 O45 A:ZKG201 2.0 23.0 0.3 O60 A:ZKG201 2.4 23.0 0.3 W15 A:ZKG201 3.4 23.0 0.3 W13 A:ZKG201 3.5 23.0 0.3 P2 A:ZKG201 3.5 23.0 0.3 O66 A:ZKG201 3.6 23.0 0.3 O44 A:ZKG201 3.6 23.0 0.3 W21 A:ZKG201 3.7 23.0 0.3 W17 A:ZKG201 3.7 23.0 0.3 O76 A:ZKG201 3.8 23.0 0.3 O64 A:ZKG201 3.8 23.0 0.3 O62 A:ZKG201 3.9 23.0 0.3 O61 A:ZKG201 3.9 23.0 0.3 O77 A:ZKG201 4.4 23.0 0.3 O71 A:ZKG201 4.4 23.0 0.3 O54 A:ZKG201 4.6 23.0 0.3 O72 A:ZKG201 4.6 23.0 0.3 O42 A:ZKG201 4.7 23.0 0.3 O50 A:ZKG201 4.7 23.0 0.3 O49 A:ZKG201 4.9 23.0 0.3 O41 A:ZKG201 4.9 23.0 0.3 O59 A:ZKG201 4.9 23.0 0.3 W20 A:ZKG201 4.9 23.0 0.3

Tungsten binding site 8 out of 33 in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) within 5.0Å range: probe atom residue distance (Å) B Occ A:W201 b:23.0 occ:0.29 W15 A:ZKG201 0.0 23.0 0.3 O50 A:ZKG201 1.7 23.0 0.3 O44 A:ZKG201 1.8 23.0 0.3 O51 A:ZKG201 1.9 23.0 0.3 O49 A:ZKG201 1.9 23.0 0.3 O64 A:ZKG201 1.9 23.0 0.3 O60 A:ZKG201 2.4 23.0 0.3 W16 A:ZKG201 3.4 23.0 0.3 W13 A:ZKG201 3.5 23.0 0.3 O45 A:ZKG201 3.6 23.0 0.3 O63 A:ZKG201 3.6 23.0 0.3 P2 A:ZKG201 3.6 23.0 0.3 W20 A:ZKG201 3.7 23.0 0.3 W14 A:ZKG201 3.7 23.0 0.3 O41 A:ZKG201 3.7 23.0 0.3 O65 A:ZKG201 3.9 23.0 0.3 O59 A:ZKG201 4.0 23.0 0.3 O62 A:ZKG201 4.0 23.0 0.3 O43 A:ZKG201 4.4 23.0 0.3 O71 A:ZKG201 4.4 23.0 0.3 O48 A:ZKG201 4.6 23.0 0.3 O70 A:ZKG201 4.6 23.0 0.3 O52 A:ZKG201 4.7 23.0 0.3 O42 A:ZKG201 4.7 23.0 0.3 O76 A:ZKG201 4.7 23.0 0.3 O53 A:ZKG201 4.8 23.0 0.3

Tungsten binding site 9 out of 33 in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) within 5.0Å range: probe atom residue distance (Å) B Occ A:W201 b:23.0 occ:0.29 W12 A:ZKG201 0.0 23.0 0.3 O40 A:ZKG201 1.7 23.0 0.3 O75 A:ZKG201 1.8 23.0 0.3 O41 A:ZKG201 1.9 23.0 0.3 O46 A:ZKG201 1.9 23.0 0.3 O43 A:ZKG201 2.0 23.0 0.3 O59 A:ZKG201 2.4 23.0 0.3 O A:HOH301 2.7 34.9 0.7 W14 A:ZKG201 3.4 23.0 0.3 W19 A:ZKG201 3.5 23.0 0.3 O76 A:ZKG201 3.5 23.0 0.3 P2 A:ZKG201 3.6 23.0 0.3 W13 A:ZKG201 3.6 23.0 0.3 O47 A:ZKG201 3.7 23.0 0.3 ZR1 A:ZKG201 3.9 23.0 0.3 O60 A:ZKG201 3.9 23.0 0.3 O49 A:ZKG201 3.9 23.0 0.3 O57 A:ZKG201 3.9 23.0 0.3 O61 A:ZKG201 4.1 23.0 0.3 O44 A:ZKG201 4.4 23.0 0.3 O78 A:ZKG201 4.5 23.0 0.3 O42 A:ZKG201 4.6 23.0 0.3 O58 A:ZKG201 4.7 23.0 0.3 O48 A:ZKG201 4.8 23.0 0.3 O63 A:ZKG201 4.8 23.0 0.3 O68 A:ZKG201 4.8 23.0 0.3 O62 A:ZKG201 4.9 23.0 0.3

Tungsten binding site 10 out of 33 in the Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Zr(IV)-Substituted Keggin Directly Binding to the Side Chain of Hen Egg-White Lysozyme (Hewl) within 5.0Å range: probe atom residue distance (Å) B Occ A:W201 b:23.0 occ:0.29 W19 A:ZKG201 0.0 23.0 0.3 O58 A:ZKG201 1.7 23.0 0.3 O68 A:ZKG201 1.8 23.0 0.3 O57 A:ZKG201 1.9 23.0 0.3 O47 A:ZKG201 1.9 23.0 0.3 O46 A:ZKG201 2.0 23.0 0.3 O59 A:ZKG201 2.4 23.0 0.3 O A:HOH301 3.2 34.9 0.7 W14 A:ZKG201 3.4 23.0 0.3 W12 A:ZKG201 3.5 23.0 0.3 O43 A:ZKG201 3.5 23.0 0.3 P2 A:ZKG201 3.5 23.0 0.3 W22 A:ZKG201 3.7 23.0 0.3 O67 A:ZKG201 3.7 23.0 0.3 W18 A:ZKG201 3.7 23.0 0.3 O75 A:ZKG201 3.7 23.0 0.3 O63 A:ZKG201 3.8 23.0 0.3 O62 A:ZKG201 3.9 23.0 0.3 O61 A:ZKG201 3.9 23.0 0.3 O69 A:ZKG201 4.3 23.0 0.3 O78 A:ZKG201 4.4 23.0 0.3 O74 A:ZKG201 4.6 23.0 0.3 O40 A:ZKG201 4.6 23.0 0.3 O56 A:ZKG201 4.7 23.0 0.3 O48 A:ZKG201 4.7 23.0 0.3 O49 A:ZKG201 4.8 23.0 0.3 O60 A:ZKG201 4.9 23.0 0.3 HG22 A:THR47 4.9 31.8 1.0 O41 A:ZKG201 4.9 23.0 0.3 O A:HOH332 5.0 52.2 0.7

L.Vandebroek, L.Van Meervelt, T.N.Parac-Vogt. Direct Observation of the Zrivinteraction with the Carboxamide Bond in A Noncovalent Complex Between Hen Egg White Lysozyme and A Zr-Substituted Keggin Polyoxometalate. Acta Crystallogr C Struct V. 74 1348 2018CHEM.
ISSN: ESSN 2053-2296
PubMed: 30398187
DOI: 10.1107/S2053229618010690