4HBS

Crystal structure of a putative hydrolase (BACOVA_04882) from Bacteroides ovatus ATCC 8483 at 2.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-08-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97929
Spacegroup name	P 31 2 1
Unit cell lengths	104.400, 104.400, 116.131
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.857 - 2.800
R-factor	0.1874
Rwork	0.186
R-free	0.20930
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.857	48.857	2.900
High resolution limit [Å]	2.800	5.980	2.800
Rmerge	0.126	0.060	0.906
Number of reflections	18376	1987	1812
<I/σ(I)>	10.64	21.1	1.9
Completeness [%]	99.3	98	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	1.00M di-ammonium hydrogen phosphate, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K