3S30

Crystal structure of a putative glycoside hydrolase (BVU_0247) from Bacteroides vulgatus ATCC 8482 at 2.46 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-07
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 65
Unit cell lengths	146.745, 146.745, 91.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.656 - 2.460
R-factor	0.2334
Rwork	0.233
R-free	0.25060
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.134
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.656	29.661	2.520
High resolution limit [Å]	2.460	11.000	2.460
Rmerge	0.094	0.043	0.811
Total number of observations		1748	12540
Number of reflections	40478
<I/σ(I)>	12.1	14	0.9
Completeness [%]	99.1	94.7	98.7
Redundancy	4.2	3.8	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	277	20.0% polyethylene glycol 3350, 0.2M ammonium nitrate, No Buffer pH 6.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K