4JQS

Crystal structure of a Putative thua-like protein (BACUNI_01602) from Bacteroides uniformis ATCC 8492 at 2.30 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	2013-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97935,0.97879
Spacegroup name	C 2 2 21
Unit cell lengths	80.326, 136.564, 144.171
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.090 - 2.300
R-factor	0.1645
Rwork	0.162
R-free	0.20610
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SOLVE
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.834		2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.064	0.022	0.629
Number of reflections	35202
<I/σ(I)>	11.63	34.2	1.4
Completeness [%]	97.0	97.3	91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	0.1M CHES pH 9.5, 40% polyethylene glycol 600, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K