4ORL

Crystal structure of a DUF4783 family protein (BACOVA_04304) from Bacteroides ovatus ATCC 8483 at 1.40 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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
Spacegroup name	C 2 2 2
Unit cell lengths	47.635, 103.233, 43.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.894 - 1.400
R-factor	0.1832
Rwork	0.182
R-free	0.20850
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.126
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]	27.894	27.894	1.450
High resolution limit [Å]	1.400	3.010	1.400
Rmerge	0.023	0.013	0.393
Number of reflections	21177	3843	3848
<I/σ(I)>	18.78	54.6	2.3
Completeness [%]	96.7	93.5	95.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	40.00% polyethylene glycol 600, 0.1M phosphate-citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K