3OWR

Crystal structure of a putative secreted protein (BF4250) from Bacteroides fragilis NCTC 9343 at 1.81 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97903,0.97922,0.91837
Spacegroup name	P 4
Unit cell lengths	103.967, 103.967, 59.866
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.496 - 1.810
R-factor	0.1679
Rwork	0.166
R-free	0.20170
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.460
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.496	46.496	1.870
High resolution limit [Å]	1.810	3.890	1.810
Rmerge	0.122	0.050	0.689
Number of reflections	58472	6046	5408
<I/σ(I)>	12.74	37.4	2.2
Completeness [%]	100.0	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.33	293	45.5% polyethylene glycol 600, 0.1M phosphate-citrate pH 4.33, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K