4GPV

Crystal structure of a putative cell adhesion protein (BACEGG_00536) from Bacteroides eggerthii DSM 20697 at 1.67 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-03
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1
Unit cell lengths	46.060, 61.488, 64.112
Unit cell angles	109.61, 103.02, 90.90

Refinement procedure

Resolution	40.625 - 1.670
R-factor	0.1613
Rwork	0.160
R-free	0.18870
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.625		1.730
High resolution limit [Å]	1.670	3.590	1.670
Rmerge	0.048	0.028	0.762
Number of reflections	70659	7024	7086
<I/σ(I)>	14.66	37.9	2
Completeness [%]	94.6	93.2	94.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M sodium acetate, 30.0% polyethylene glycol 4000, 0.1M tris hydrochloride pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K