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 |