3SB4

Crystal structure of a leucine-rich repeat protein (BT_1240) from Bacteroides thetaiotaomicron VPI-5482 at 1.99 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	CCD
Collection date	2010-11-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97999,0.97959
Spacegroup name	P 1
Unit cell lengths	52.210, 62.130, 66.860
Unit cell angles	109.80, 93.75, 91.05

Refinement procedure

Resolution	27.817 - 1.990
R-factor	0.1696
Rwork	0.168
R-free	0.19910
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.817	27.817	2.070
High resolution limit [Å]	1.990	4.300	2.000
Rmerge	0.077	0.072	0.278
Number of reflections	52132	10192	7876
<I/σ(I)>	5.13	7.1	2.5
Completeness [%]	91.7	92.3	72.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20.00% Glycerol, 0.0400M KH2PO4, 16.00% PEG-8000, No Buffer, pH None, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K