7VXR

Crystal structure of BPSL1038 from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	85.360, 115.630, 46.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.080 - 1.550
R-factor	0.1202
Rwork	0.118
R-free	0.15690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vxt
RMSD bond length	0.022
RMSD bond angle	2.051
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.080	1.580
High resolution limit [Å]	1.550	1.550
Rmeas	0.090	0.616
Rpim	0.031	0.240
Number of reflections	33712	1480
<I/σ(I)>	12.3	2.9
Completeness [%]	99.1	89.8
Redundancy	7.7	5.3
CC(1/2)	0.996	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.1 M sodium acetate pH 4.6, 1.8-2M sodium formate