4QVU

Crystal structure of a DUF4931 family protein (BCE0241) from Bacillus cereus ATCC 10987 at 2.65 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9116,0.9794
Spacegroup name	P 64 2 2
Unit cell lengths	102.049, 102.049, 95.481
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.944 - 2.650
R-factor	0.21
Rwork	0.207
R-free	0.26070
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.944	29.944	2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge		0.013
Total number of observations		1161	8051
Number of reflections	8992
<I/σ(I)>	16.2	9.1	2.3
Completeness [%]	99.9	93.8	100
Redundancy	11.6	9.2	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.47	293	53.00% polyethylene glycol 200, 0.1M HEPES pH 7.47, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K