3MSW

Crystal structure of a Protein with unknown function (BF3112) from Bacteroides fragilis NCTC 9343 at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97925,0.97864
Spacegroup name	P 21 21 21
Unit cell lengths	45.570, 57.550, 65.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.310 - 1.900
R-factor	0.1987
Rwork	0.197
R-free	0.22660
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.310	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.059	0.584
Number of reflections	13924
<I/σ(I)>	9.47	1.5
Completeness [%]	98.2	95.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5	277	40.000000000% 1,2-propanediol, 0.1M Acetate pH 4.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K