3MOG
Crystal structure of 3-hydroxybutyryl-CoA dehydrogenase from Escherichia coli K12 substr. MG1655
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 | 2009-12-18 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.302, 145.753, 148.783 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
R-factor | 0.21744 |
Rwork | 0.216 |
R-free | 0.26590 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.223 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.069 | |
Number of reflections | 80082 | |
<I/σ(I)> | 7.8 | 0.8 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 5.1 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 100MM TRIS-HCL, PH 8.5, 30% PEG 4K, 200MM SODIUM ACETATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |