3P69

Crystal structure of a putative secreted protein (BF4250) from Bacteroides fragilis NCTC 9343 at 2.05 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)	0.97898,0.97922,0.91837,0.97881
Spacegroup name	H 3 2
Unit cell lengths	127.074, 127.074, 150.606
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.914 - 2.050
R-factor	0.1909
Rwork	0.189
R-free	0.21940
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.914	29.914	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge		0.013	0.013
Total number of observations		2050	13505
Number of reflections	29482
<I/σ(I)>	12.1	13.6	0.6
Completeness [%]	100.0	97.6	100
Redundancy	6.3	5.7	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.7510M ammonium sulfate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K