3SCY

Crystal structure of a putative 6-phosphogluconolactonase (BF1038) from Bacteroides fragilis NCTC 9343 at 1.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97927
Spacegroup name	P 32 2 1
Unit cell lengths	49.463, 49.463, 216.435
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.054 - 1.500
R-factor	0.1652
Rwork	0.164
R-free	0.18550
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.054	27.054	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.034	0.020	0.638
Number of reflections	50531	9442	8811
<I/σ(I)>	17.52	44.6	2
Completeness [%]	99.7	98.6	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	30.00% polyethylene glycol 4000, 0.20M magnesium chloride, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K