Chlorine in PDB 6qy1: Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 1500 Patterns Merged

All present enzymatic activity of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 1500 Patterns Merged:
3.2.1.17;

The structure of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 1500 Patterns Merged, PDB code: 6qy1 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 (%)	18.6 / 20.6

The structure of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 1500 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, 1500 Patterns Merged (pdb code 6qy1). 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, 1500 Patterns Merged, PDB code: 6qy1:
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, 1500 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, 1500 Patterns Merged within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:24.8 occ:1.00 HD22 A:ASN113 2.3 20.5 1.0 HB2 A:ASN113 2.9 21.6 1.0 HA A:ALA110 3.1 17.6 1.0 HG12 A:VAL109 3.2 25.7 0.5 ND2 A:ASN113 3.2 17.1 1.0 HG22 A:VAL109 3.4 25.5 0.5 CB A:ASN113 3.6 18.0 1.0 HB3 A:ASN113 3.6 21.6 1.0 HD2 A:ARG114 3.7 27.0 1.0 HD21 A:ASN113 3.8 20.5 1.0 HG3 A:ARG114 3.9 28.3 1.0 CG A:ASN113 3.9 15.5 1.0 HG13 A:VAL109 4.0 27.9 0.5 CA A:ALA110 4.0 14.7 1.0 CG1 A:VAL109 4.1 21.4 0.5 O A:VAL109 4.1 14.5 1.0 HB2 A:ALA110 4.2 22.3 1.0 HG11 A:VAL109 4.3 25.7 0.5 CG2 A:VAL109 4.3 21.2 0.5 N A:ALA110 4.4 12.8 1.0 C A:VAL109 4.4 12.4 1.0 CD A:ARG114 4.4 22.5 1.0 HG21 A:VAL109 4.5 25.5 0.5 HG13 A:VAL109 4.5 25.7 0.5 CB A:ALA110 4.6 18.6 1.0 HD3 A:ARG114 4.6 27.0 1.0 CG A:ARG114 4.6 23.6 1.0 HB1 A:ALA110 4.7 22.3 1.0 CG1 A:VAL109 4.8 23.3 0.5 H A:ASN113 4.8 17.3 1.0 H A:ALA110 4.9 15.3 1.0 HB A:VAL109 4.9 23.2 0.5 HG11 A:VAL109 4.9 27.9 0.5 CA A:ASN113 4.9 15.5 1.0 HG23 A:VAL109 4.9 25.5 0.5 HG2 A:ARG114 5.0 28.3 1.0 HH11 A:ARG114 5.0 24.8 1.0

Chlorine binding site 2 out of 2 in the Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 1500 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, 1500 Patterns Merged within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:30.7 occ:1.00 H A:GLY26 2.3 16.1 1.0 HG A:SER24 2.7 23.8 1.0 HB2 A:SER24 2.9 27.5 1.0 HA A:GLN121 2.9 28.0 1.0 HA3 A:GLY26 3.0 17.9 1.0 HG2 A:GLN121 3.0 67.0 1.0 OG A:SER24 3.0 19.8 1.0 N A:GLY26 3.1 13.4 1.0 HD11 A:ILE124 3.2 45.4 1.0 HD13 A:ILE124 3.4 45.4 1.0 CB A:SER24 3.4 22.9 1.0 CA A:GLY26 3.6 14.9 1.0 HG23 A:VAL120 3.6 24.4 1.0 CD1 A:ILE124 3.7 37.8 1.0 CA A:GLN121 3.8 23.4 1.0 HG12 A:ILE124 3.8 34.5 1.0 CG A:GLN121 3.9 55.8 1.0 H A:LEU25 3.9 19.8 1.0 N A:LEU25 4.0 16.5 1.0 HB3 A:SER24 4.1 27.5 1.0 HA2 A:GLY26 4.1 17.9 1.0 HB2 A:GLN121 4.2 38.8 1.0 CB A:GLN121 4.2 32.3 1.0 N A:GLN121 4.2 22.8 1.0 HB3 A:LEU25 4.2 18.0 1.0 C A:SER24 4.2 20.0 1.0 HG3 A:GLN121 4.3 67.0 1.0 C A:LEU25 4.3 19.6 1.0 CG1 A:ILE124 4.3 28.8 1.0 H A:ASN27 4.3 17.8 1.0 O A:VAL120 4.4 18.8 1.0 CA A:SER24 4.5 21.6 1.0 C A:VAL120 4.5 23.5 1.0 CG2 A:VAL120 4.5 20.3 1.0 HD12 A:ILE124 4.5 45.4 1.0 H A:GLN121 4.5 27.3 1.0 CA A:LEU25 4.6 13.8 1.0 C A:GLY26 4.7 14.6 1.0 HG21 A:VAL120 4.7 24.4 1.0 O A:SER24 4.7 14.6 1.0 N A:ASN27 4.8 14.8 1.0 HE21 A:GLN121 4.8 78.6 1.0 HG13 A:ILE124 4.8 34.5 1.0 CB A:LEU25 4.9 15.0 1.0 HG21 A:ILE124 4.9 29.1 1.0 C A:GLN121 4.9 20.8 1.0 CD A:GLN121 4.9 63.3 1.0 HA A:SER24 5.0 26.0 1.0 HG23 A:ILE124 5.0 29.1 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