4OJU

Crystal structure of a leucine-rich repeat protein (BACCAP_00569) from Bacteroides capillosus ATCC 29799 at 2.00 A resolution

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-17
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	57.635, 108.160, 108.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.420 - 2.000
R-factor	0.1685
Rwork	0.167
R-free	0.18970
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.140
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]	29.420		2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.103	0.037	0.776
Number of reflections	46541	8909	8585
<I/σ(I)>	15.19	39.7	2.9
Completeness [%]	99.9	99.6	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M magnesium chloride, 30.00% polyethylene glycol 4000, 0.1M tris hydrochloride pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K