3RH7

Crystal structure of a putative oxidoreductase (SMa0793) from Sinorhizobium meliloti 1021 at 3.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796,0.9611,0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	91.920, 99.735, 234.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.759 - 3.000
R-factor	0.1887
Rwork	0.187
R-free	0.22650
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.170
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]	29.759		3.110
High resolution limit [Å]	3.000	6.400	3.000
Rmerge	0.069	0.018	0.515
Number of reflections	42960	7885	7995
<I/σ(I)>	10.57	32.3	1.5
Completeness [%]	94.3	91.4	93.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	0.2M LiAcetate, 20.0% PEG-3350, No Buffer pH 7.8, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K