3KSU
Crystal structure of short-chain dehydrogenase from oenococcus oeni psu-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2009-11-10 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.589, 84.207, 87.872 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.300 |
R-factor | 0.232 |
Rwork | 0.230 |
R-free | 0.28600 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.062 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.350 |
High resolution limit [Å] | 2.270 | 2.270 |
Number of reflections | 23892 | |
<I/σ(I)> | 5.2 | 0.6 |
Completeness [%] | 94.9 | 96.4 |
Redundancy | 3.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M BIS-TRIS PH 5.5, 25% PEG3350, 200MM SODIUM CHLORIDE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |