4DGU

Crystal structure of a putative cell adhesion protein (BT0320) from Bacteroides thetaiotaomicron VPI-5482 at 2.37 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97937,0.91837,0.97867
Spacegroup name	C 2 2 21
Unit cell lengths	83.549, 127.510, 110.729
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.910 - 2.370
R-factor	0.1887
Rwork	0.187
R-free	0.22410
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.910		2.450
High resolution limit [Å]	2.370	5.080	2.370
Rmerge	0.060	0.030	0.821
Number of reflections	23861	2526	2229
<I/σ(I)>	13.06	32.7	1.6
Completeness [%]	97.3	96.7	96.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.17	277	0.2M zinc acetate, 10.0% polyethylene glycol 8000, 0.1M MES pH 6.17, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K