4H40

Crystal structure of a putative cell adhesion protein (BF2867) from Bacteroides fragilis NCTC 9343 at 2.57 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	2012-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795,0.9797,0.9116
Spacegroup name	C 1 2 1
Unit cell lengths	87.638, 132.421, 64.255
Unit cell angles	90.00, 101.06, 90.00

Refinement procedure

Resolution	45.664 - 2.570
R-factor	0.1895
Rwork	0.187
R-free	0.22940
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.664		2.660
High resolution limit [Å]	2.570	5.500	2.570
Rmerge	0.059	0.044	0.531
Number of reflections	22162	2214	2180
<I/σ(I)>	11.02	22.7	1.8
Completeness [%]	96.5	92.9	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	0.20M magnesium acetate, 18.0% polyethylene glycol 8000, 0.1M sodium cacodylate pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K