4J2H
Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)
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 | 2011-10-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97910 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 103.875, 103.875, 101.165 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.260 - 2.100 |
R-factor | 0.1902 |
Rwork | 0.189 |
R-free | 0.21530 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.276 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 19305 | |
<I/σ(I)> | 41.9 | 5.8 |
Completeness [%] | 99.6 | 100 |
Redundancy | 41.7 | 42.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Protein (20 mM Hepes, pH 7.5, 150 mM NaCl, 10% glycerol; Reservoir (MCSG4 #82; G10: 0.1 M Sodium Citrate, 20% (w/v) PEG 4000, 20% (v/v) 2-Propanol); Cryoprotection (30% Ethylene glycol), Vapor Diffusion, Sitting Drop, temperature 298K |