4ECN

Crystal structure of a leucine-rich repeat protein (BT_0210) from Bacteroides thetaiotaomicron VPI-5482 at 2.80 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	2012-02-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97894,0.97949,0.92522
Spacegroup name	P 21 21 21
Unit cell lengths	85.399, 105.463, 161.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.876 - 2.800
R-factor	0.1844
Rwork	0.182
R-free	0.23170
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.876	47.876	2.870
High resolution limit [Å]	2.800	12.520	2.800
Rmerge	0.138	0.012	0.012
Number of reflections	36526	481	2668
<I/σ(I)>	13.97	45.5	1.6
Completeness [%]	99.7	97.2	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	20.00% PEG-6000, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K