4KQ7

Crystal structure of a DUF2961 family protein (BACUNI_00161) from Bacteroides uniformis ATCC 8492 at 1.62 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	2013-01-24
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 3
Unit cell lengths	133.926, 133.926, 133.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.350 - 1.620
R-factor	0.1385
Rwork	0.138
R-free	0.15670
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.350		1.680
High resolution limit [Å]	1.620	3.480	1.620
Rmerge	0.098	0.046	0.821
Number of reflections	101280	10547	10352
<I/σ(I)>	12.73	33.3	2.3
Completeness [%]	99.9	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	40.0% polyethylene glycol 300, 40.0% polyethylene glycol 300, 0.1M phosphate-citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K