4EJ6

Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) 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]	100
Detector technology	CCD
Collection date	2011-10-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	I 4 2 2
Unit cell lengths	107.607, 107.607, 137.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.890
R-factor	0.1774
Rwork	0.176
R-free	0.20180
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.332
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX (C)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.890	1.900
Number of reflections	32173
<I/σ(I)>	33.7	5.4
Completeness [%]	99.8	99.9
Redundancy	23	20.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	298	Protein (20 mM Hepes, pH 7.5, 150 mM NaCl, 10% glycerol; Reservoir (MCSG1 #3: 0.2 M Sodium Chloride 0.1 M Na2HPO4:KH2PO4 10% (w/v) PEG 8000 ); Cryoprotection (30% Ethylene glycol), temperature 298K, VAPOR DIFFUSION, SITTING DROP