Chlorine in PDB 6qy0: Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 3000 Patterns Merged

All present enzymatic activity of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 3000 Patterns Merged:
3.2.1.17;

The structure of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 3000 Patterns Merged, PDB code: 6qy0 was solved by J.Lieske, A.Tolstikova, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.54 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.860, 79.860, 38.020, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19.5

The structure of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 3000 Patterns Merged also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 3000 Patterns Merged (pdb code 6qy0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 3000 Patterns Merged, PDB code: 6qy0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 3000 Patterns Merged


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 3000 Patterns Merged within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:23.8 occ:1.00 HD22 A:ASN113 2.5 22.4 1.0 HB2 A:ASN113 2.9 18.1 1.0 HA A:ALA110 3.1 18.6 1.0 HG12 A:VAL109 3.2 26.5 0.6 ND2 A:ASN113 3.3 18.6 1.0 HG22 A:VAL109 3.4 28.2 0.4 CB A:ASN113 3.6 15.0 1.0 HB3 A:ASN113 3.6 18.1 1.0 HD2 A:ARG114 3.7 28.3 1.0 HG3 A:ARG114 3.8 26.6 1.0 HD21 A:ASN113 3.9 22.4 1.0 CG A:ASN113 3.9 15.3 1.0 CA A:ALA110 4.0 15.5 1.0 HG13 A:VAL109 4.0 28.8 0.4 CG1 A:VAL109 4.1 22.1 0.6 O A:VAL109 4.1 15.6 1.0 HB2 A:ALA110 4.2 22.3 1.0 HG11 A:VAL109 4.3 26.5 0.6 CG2 A:VAL109 4.4 23.5 0.4 N A:ALA110 4.4 14.0 1.0 CD A:ARG114 4.4 23.6 1.0 C A:VAL109 4.4 12.1 1.0 HG21 A:VAL109 4.5 28.2 0.4 HG13 A:VAL109 4.5 26.5 0.6 HD3 A:ARG114 4.6 28.3 1.0 CG A:ARG114 4.6 22.2 1.0 CB A:ALA110 4.6 18.6 1.0 HB1 A:ALA110 4.7 22.3 1.0 H A:ASN113 4.8 17.1 1.0 CG1 A:VAL109 4.8 24.0 0.4 HH11 A:ARG114 4.9 21.8 1.0 CA A:ASN113 4.9 14.0 1.0 H A:ALA110 4.9 16.8 1.0 HG2 A:ARG114 4.9 26.6 1.0 HG11 A:VAL109 5.0 28.8 0.4 HG23 A:VAL109 5.0 28.2 0.4 HB A:VAL109 5.0 21.8 0.6

Chlorine binding site 2 out of 2 in the Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 3000 Patterns Merged


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 3000 Patterns Merged within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:31.9 occ:1.00 H A:GLY26 2.3 18.9 1.0 HG A:SER24 2.6 24.4 1.0 HB2 A:SER24 2.8 21.5 1.0 HA A:GLN121 2.9 26.0 1.0 OG A:SER24 3.0 20.4 1.0 HA3 A:GLY26 3.0 17.9 1.0 HG2 A:GLN121 3.0 65.8 1.0 N A:GLY26 3.1 15.7 1.0 HD11 A:ILE124 3.3 45.3 1.0 CB A:SER24 3.4 17.9 1.0 HD13 A:ILE124 3.5 45.3 1.0 HG23 A:VAL120 3.5 24.3 1.0 CA A:GLY26 3.5 14.9 1.0 CA A:GLN121 3.8 21.6 1.0 CD1 A:ILE124 3.8 37.8 1.0 HG12 A:ILE124 3.8 25.7 1.0 CG A:GLN121 3.9 54.9 1.0 H A:LEU25 3.9 18.8 1.0 N A:LEU25 4.0 15.6 1.0 HB3 A:SER24 4.0 21.5 1.0 HB2 A:GLN121 4.1 35.4 1.0 N A:GLN121 4.2 21.5 1.0 CB A:GLN121 4.2 29.5 1.0 HA2 A:GLY26 4.2 17.9 1.0 C A:SER24 4.2 20.5 1.0 HB3 A:LEU25 4.2 19.0 1.0 H A:ASN27 4.2 15.3 1.0 C A:LEU25 4.2 17.7 1.0 HG3 A:GLN121 4.3 65.8 1.0 CG1 A:ILE124 4.4 21.4 1.0 O A:VAL120 4.4 19.8 1.0 CA A:SER24 4.4 22.3 1.0 CG2 A:VAL120 4.4 20.2 1.0 C A:VAL120 4.5 21.3 1.0 H A:GLN121 4.5 25.8 1.0 CA A:LEU25 4.6 16.1 1.0 C A:GLY26 4.6 10.9 1.0 HD12 A:ILE124 4.6 45.3 1.0 HG21 A:VAL120 4.6 24.3 1.0 O A:SER24 4.7 15.9 1.0 N A:ASN27 4.7 12.7 1.0 HE21 A:GLN121 4.9 90.7 1.0 CB A:LEU25 4.9 15.8 1.0 HA A:SER24 4.9 26.7 1.0 HG13 A:ILE124 4.9 25.7 1.0 HB A:VAL120 4.9 21.6 1.0 C A:GLN121 4.9 21.1 1.0 HG21 A:ILE124 5.0 26.0 1.0

A.Tolstikova, M.Levantino, O.Yefanov, V.Hennicke, P.Fischer, J.Meyer, A.Mozzanica, S.Redford, E.Crosas, N.L.Opara, M.Barthelmess, J.Lieske, D.Oberthuer, E.Wator, I.Mohacsi, M.Wulff, B.Schmitt, H.N.Chapman, A.Meents. 1 Khz Fixed-Target Serial Crystallography Using A Multilayer Monochromator and An Integrating Pixel Detector. Iucrj V. 6 927 2019.
ISSN: ESSN 2052-2525
PubMed: 31576225
DOI: 10.1107/S205225251900914X