Fluorine in PDB 6gxd: The Hit-and-Return System Enables Efficient Time-Resolved Serial Synchrotron Crystallography: FACD752MS After Reaction Initiation

The structure of The Hit-and-Return System Enables Efficient Time-Resolved Serial Synchrotron Crystallography: FACD752MS After Reaction Initiation, PDB code: 6gxd was solved by E.C.Schulz, P.Mehrabi, H.Mueller-Werkmeister, F.Tellkamp, W.Stuart, E.Persch, R.De Gasparo, F.Diederich, E.F.Pai, R.J.D.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.72 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.370, 78.540, 83.510, 90.00, 102.76, 90.00
R / Rfree (%)	16.5 / 20.9

The structure of The Hit-and-Return System Enables Efficient Time-Resolved Serial Synchrotron Crystallography: FACD752MS After Reaction Initiation also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the The Hit-and-Return System Enables Efficient Time-Resolved Serial Synchrotron Crystallography: FACD752MS After Reaction Initiation (pdb code 6gxd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the The Hit-and-Return System Enables Efficient Time-Resolved Serial Synchrotron Crystallography: FACD752MS After Reaction Initiation, PDB code: 6gxd:

Fluorine binding site 1 out of 1 in the The Hit-and-Return System Enables Efficient Time-Resolved Serial Synchrotron Crystallography: FACD752MS After Reaction Initiation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Hit-and-Return System Enables Efficient Time-Resolved Serial Synchrotron Crystallography: FACD752MS After Reaction Initiation within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:26.0 occ:1.00 F A:FAH401 0.0 26.0 1.0 CH3 A:FAH401 1.5 23.3 1.0 C A:FAH401 2.5 17.7 1.0 NE1 A:TRP156 2.7 13.5 1.0 O A:FAH401 2.8 21.4 1.0 NE2 A:HIS155 2.9 12.6 1.0 OH A:TYR219 3.0 18.3 1.0 CD1 A:TRP156 3.6 11.5 1.0 OXT A:FAH401 3.7 30.8 1.0 CE2 A:TRP156 3.7 13.4 1.0 CE1 A:HIS155 3.8 17.8 1.0 OD1 A:ASP110 3.8 15.2 1.0 CD2 A:HIS155 3.8 14.8 1.0 CZ A:TYR219 4.0 14.5 1.0 CE2 A:TYR219 4.1 15.0 1.0 CZ2 A:TRP156 4.2 14.5 1.0 NH1 A:ARG111 4.3 13.5 1.0 CH2 A:TRP185 4.5 16.1 1.0 CG A:ASP110 4.7 14.4 1.0 CD1 A:ILE253 4.7 24.1 1.0 OD2 A:ASP110 4.7 11.1 1.0 O A:HOH554 4.8 21.8 1.0 CG A:TRP156 4.8 11.8 1.0 ND1 A:HIS155 4.9 12.2 1.0 CZ2 A:TRP185 4.9 19.9 1.0 CD2 A:TRP156 4.9 10.6 1.0 CZ3 A:TRP185 5.0 17.3 1.0 CG A:HIS155 5.0 13.0 1.0

E.C.Schulz, P.Mehrabi, H.M.Muller-Werkmeister, F.Tellkamp, A.Jha, W.Stuart, E.Persch, R.De Gasparo, F.Diederich, E.F.Pai, R.J.D.Miller. The Hit-and-Return System Enables Efficient Time-Resolved Serial Synchrotron Crystallography. Nat. Methods V. 15 901 2018.
ISSN: ESSN 1548-7105
PubMed: 30377366
DOI: 10.1038/S41592-018-0180-2