3L2H

Crystal structure of Putative sugar phosphate isomerase (AFE_0303) from Acidithiobacillus ferrooxidans ATCC 23270 at 1.85 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	CCD
Collection date	2009-07-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97925,0.97876
Spacegroup name	P 21 21 21
Unit cell lengths	75.876, 93.744, 139.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.488 - 1.850
R-factor	0.181
Rwork	0.180
R-free	0.21000
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.707
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.488	29.488	1.920
High resolution limit [Å]	1.850	3.980	1.850
Rmerge	0.062	0.021	0.729
Number of reflections	84481	15687	16470
<I/σ(I)>	10.11	32.4	1.4
Completeness [%]	96.3	95.4	95.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	0.2000M sodium chloride, 20.0000% polyethylene glycol 8000, 0.1M CAPS pH 10.5, 0.001 M alpha-ketoglutaric acid, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K