4J8P

Crystal structure of a Putative flavoprotein (BACUNI_04544) from Bacteroides uniformis ATCC 8492 at 1.50 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	2013-01-24
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	56.246, 56.246, 102.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.772 - 1.500
R-factor	0.1672
Rwork	0.166
R-free	0.18820
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.920
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]	39.772		1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.034	0.016	0.796
Number of reflections	26627	4748	4578
<I/σ(I)>	17.5	53.7	1.5
Completeness [%]	97.4	93.8	97.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	3.2000M ammonium sulfate, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K