4QRJ

Crystal structure of a putative 6-phosphogluconolactonase (BACUNI_04672) from Bacteroides uniformis ATCC 8492 at 2.20 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	2013-03-22
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1
Unit cell lengths	40.554, 52.185, 78.880
Unit cell angles	95.22, 90.54, 94.37

Refinement procedure

Resolution	29.302 - 2.200
R-factor	0.1591
Rwork	0.157
R-free	0.19250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	PHASER
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.302		2.280
High resolution limit [Å]	2.200	4.720	2.200
Rmerge	0.063	0.038	0.223
Number of reflections	29206	5768	5583
<I/σ(I)>	6.68	13.6	2.2
Completeness [%]	87.1	87.2	84.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2M sodium acetate, 30.0% polyethylene glycol 4000, 0.1M tris hydrochloride pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K