9MLP

Crystal structure of VgrS from Salmonella Typhimurium

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.18082
Spacegroup name	C 2 2 21
Unit cell lengths	121.147, 209.917, 470.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.760 - 3.100
R-factor	0.2327
Rwork	0.232
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.808	3.150
High resolution limit [Å]	3.100	3.100
Rmerge	0.212	2.340
Rmeas	0.251	2.773
Rpim	0.133	1.474
Number of reflections	108786	5262
<I/σ(I)>	8	0.9
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.997	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.1M sodium acetate pH 5.0, 1.5M Ammonium Sulfate