3RWX

Crystal structure of a putative outer membrane protein (BF2706) from Bacteroides fragilis NCTC 9343 at 2.40 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.96109,0.97934,0.97908
Spacegroup name	P 31 2 1
Unit cell lengths	154.154, 154.154, 40.164
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.816 - 2.400
R-factor	0.2006
Rwork	0.198
R-free	0.24180
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.518
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.816		2.490
High resolution limit [Å]	2.400	5.140	2.400
Rmerge	0.090	0.035	0.672
Number of reflections	21589	4166	4268
<I/σ(I)>	10.91	26.1	1.8
Completeness [%]	98.4	97.9	96.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2M potassium sodium tartrate, 2.0M ammonium sulfate, 0.1M sodium citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K