3VC7

Crystal Structure of a putative oxidoreductase from Sinorhizobium meliloti 1021

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	298
Detector technology	CCD
Collection date	2011-12-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	59.074, 119.301, 64.128
Unit cell angles	90.00, 110.09, 90.00

Refinement procedure

Resolution	32.322 - 2.231
R-factor	0.1821
Rwork	0.180
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3emk
RMSD bond length	0.004
RMSD bond angle	0.833
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Number of reflections	39837
Completeness [%]		99.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	200 mM MgCl2, 100 mM Tris, and 30% PEG 4000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K