4N0R

Crystal structure of a putative glycoside hydrolase (BVU_0362) from Bacteroides vulgatus ATCC 8482 at 1.80 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	2013-08-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837, 0.9792, 0.97868
Spacegroup name	P 21 21 2
Unit cell lengths	226.439, 67.684, 90.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.211 - 1.800
R-factor	0.1516
Rwork	0.150
R-free	0.17960
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.211	29.210	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.075	0.028	0.563
Number of reflections	127394	23515	20958
<I/σ(I)>	7.89	23.8	1.5
Completeness [%]	95.4	93.6	89.8
Redundancy	3.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.67	293	0.01M nickel (II) chloride, 22.0% polyethylene glycol monomethyl ether 2000, 0.2M NDSB-256, 0.1M TRIS pH 8.67, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K