4K61

Crystal structure of a DUF2874 family protein (BACUNI_01296) from Bacteroides uniformis ATCC 8492 at 1.70 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	PIXEL
Collection date	2013-03-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926,0.91837
Spacegroup name	I 4
Unit cell lengths	86.773, 86.773, 85.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.440 - 1.700
R-factor	0.1909
Rwork	0.190
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.392
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.440		1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.046	0.022	0.788
Number of reflections	34782	6775	6341
<I/σ(I)>	13.29	41.2	1.5
Completeness [%]	97.6	97.8	93.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.05M calcium acetate, 40% 1,2-propanediol, 0.1M sodium acetate pH 4.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K