4CV7

Crystal structure of Rhodococcus equi VapB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-30
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 61 2 2
Unit cell lengths	83.820, 83.820, 49.130
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.400
R-factor	0.17252
Rwork	0.170
R-free	0.19854
Structure solution method	SAD
RMSD bond length	0.024
RMSD bond angle	2.234
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.100	1.260
Number of reflections	20584
<I/σ(I)>	26.9	2.67
Completeness [%]	100.0	100
Redundancy	37	29

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	SITTING DROP VAPOUR DIFFUSION AT 293 K WITH 1 UL PROTEIN (10 MG/ML) PLUS 0.5 UL RESERVOIR SOLUTION CONSISTING OF 0.01 M COCL2, 0.1 M NA-ACETATE, PH 4.6, AND 1.0 M HEXANEDIOL (JCSG CORE II CONDITION G4).