2C3D
2.15 Angstrom crystal structure of 2-ketopropyl coenzyme M oxidoreductase carboxylase with a coenzyme M disulfide bound at the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.790, 60.050, 105.630 |
Unit cell angles | 90.00, 99.91, 90.00 |
Refinement procedure
Resolution | 37.700 - 2.150 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1M09 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.080 | 0.260 |
Number of reflections | 58516 | |
<I/σ(I)> | 7.8 | 2.7 |
Completeness [%] | 97.8 | 99.5 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.17 M SODIUM ACETATE 0.085M TRIS-HCL PH 8.5 25.5% PEG4000 15% GLYCEROL |