4QHB

Crystal structure of a putative hydrolase (BVU_2763) from Bacteroides vulgatus ATCC 8482 at 2.44 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.96109,0.97934,0.97911
Spacegroup name	P 1 21 1
Unit cell lengths	83.102, 107.296, 108.137
Unit cell angles	90.00, 101.82, 90.00

Refinement procedure

Resolution	47.852 - 2.440
R-factor	0.1723
Rwork	0.170
R-free	0.21500
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.625
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.852	47.852	2.530
High resolution limit [Å]	2.440	5.230	2.440
Rmerge	0.118	0.058	0.605
Number of reflections	69089	7092	7091
<I/σ(I)>	8.79	18.5	2.1
Completeness [%]	99.8	99.1	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.050M lithium sulfate, 10.00% Glycerol, 30.00% polyethylene glycol 600, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K