4LER

Crystal structure of a putative outer membrane protein, probably involved in nutrient binding (BVU_1254) from Bacteroides vulgatus ATCC 8482 at 1.42 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	2013-05-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97891,0.97852
Spacegroup name	P 41 21 2
Unit cell lengths	71.001, 71.001, 184.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.753 - 1.420
R-factor	0.1446
Rwork	0.143
R-free	0.16840
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.232
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.753	29.753	1.480
High resolution limit [Å]	1.420	3.080	1.430
Rmerge	0.064	0.043	0.926
Number of reflections	88866	16738	16443
<I/σ(I)>	8.43	22.9	1.4
Completeness [%]	99.3	98.8	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	1.00M lithium chloride, 20.00% polyethylene glycol 6000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K