4K05

Crystal structure of a DUF1343 family protein (BF0371) from Bacteroides fragilis NCTC 9343 at 1.65 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	2013-02-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.96109,0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	54.080, 88.410, 159.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.469 - 1.650
R-factor	0.1508
Rwork	0.149
R-free	0.18260
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.469		1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.066	0.025	0.498
Number of reflections	91531	16983	15720
<I/σ(I)>	10.11	28.6	1.7
Completeness [%]	95.4	94.8	87.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M potassium formate, 20% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K