3KRT
CRYSTAL STRUCTURE OF putative crotonyl CoA reductase from Streptomyces coelicolor A3(2)
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 | 2009-11-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.530, 117.670, 187.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.190 |
R-factor | 0.192 |
Rwork | 0.189 |
R-free | 0.23800 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.406 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.280 |
High resolution limit [Å] | 2.190 | 4.740 | 2.200 |
Rmerge | 0.129 | 0.056 | 0.907 |
Number of reflections | 181910 | ||
<I/σ(I)> | 5.9 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 4.3 | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2M Mg chloride, 0.1M HEPES, 25% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |