4JX0

Crystal structure of a two domain protein with unknown function (BF3416) from Bacteroides fragilis NCTC 9343 at 2.90 A resolution

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-08-02
Detector	DECTRIS PILATUS 6M
Spacegroup name	I 2 2 2
Unit cell lengths	80.341, 118.742, 239.871
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.829 - 2.900
R-factor	0.1967
Rwork	0.195
R-free	0.22880
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.829		3.000
High resolution limit [Å]	2.900	6.190	2.900
Rmerge	0.146	0.072	0.738
Number of reflections	25634	2781	2336
<I/σ(I)>	11.57	22.3	2.6
Completeness [%]	98.8	98.5	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.2M magnesium chloride, 50.0% polyethylene glycol 200, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K