4EJM

Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021 bound to NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-26
Detector	RAYONIX MX225HE
Spacegroup name	I 4 2 2
Unit cell lengths	107.620, 107.620, 137.741
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.090
R-factor	0.186
Rwork	0.185
R-free	0.22000
RMSD bond length	0.011
RMSD bond angle	1.546
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.090	2.100
Number of reflections	24190
<I/σ(I)>	22.2	2.08
Completeness [%]	99.3	91.5
Redundancy	13.5	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.2	298	Protein (20 mM Hepes, pH 7.5, 150 mM NaCl, 10% glycerol; Reservoir (MCSG2 #1: 0.2 M Potassium Sodium Tartarate and 20% (w/v) PEG3350 ); Cryoprotection (30% Ethylene glycol); Crystals soaked in 100mM NADP and 100mM 3-hydroxybutyrate-Na in 15% PEG3350 and 30% ethyleneglycol for at least 30mins, temperature 298K, VAPOR DIFFUSION, SITTING DROP