4FDW

Crystal structure of a putative cell surface protein (BACOVA_01565) from Bacteroides ovatus ATCC 8483 at 2.05 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-29
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	79.140, 112.320, 55.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 2.050
R-factor	0.1828
Rwork	0.181
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fd0
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	PHASER (2.3.0)
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.800		2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.068	0.013	0.596
Number of reflections	31501	645	4264
<I/σ(I)>	8.5	36.3	1.3
Completeness [%]	95.1	93.9	94.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1M Cadmium Chloride, 30.0% polyethylene glycol 400, 0.1M sodium acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K