3U6G

Crystal structure of a domain of unknown function, DUF4425 (BVU_3708) from Bacteroides vulgatus ATCC 8482 at 1.35 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	2011-07-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.96109,0.97961
Spacegroup name	P 21 21 2
Unit cell lengths	52.237, 99.302, 41.085
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.960 - 1.350
R-factor	0.1592
Rwork	0.157
R-free	0.20670
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.252
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0116)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.960		1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.027	0.016	0.599
Number of reflections	45712	8177	8252
<I/σ(I)>	14.43	41.6	1.4
Completeness [%]	93.6	89.7	87.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M HEPES pH 7.5, 1.4M tri-sodium citrate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K