4QFU

Crystal structure of a glycoside hydrolase family 5 (BVU_2644) from Bacteroides vulgatus ATCC 8482 at 1.90 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	2013-07-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97932,0.97885
Spacegroup name	P 1
Unit cell lengths	115.950, 117.589, 125.249
Unit cell angles	91.60, 92.82, 98.92

Refinement procedure

Resolution	46.868 - 1.900
R-factor	0.1437
Rwork	0.142
R-free	0.17160
Structure solution method	MR+MAD
RMSD bond length	0.010
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.868	46.868	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.073	0.041	0.415
Number of reflections	459821	46400	42659
<I/σ(I)>	8.38	19.1	2.1
Completeness [%]	89.4	89.4	80.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.17M magnesium nitrate, 18.0% polyethylene glycol 3350, 0.01M Sarcosine, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K