3Q6J
Structural basis for carbon dioxide binding by 2-ketopropyl coenzyme M Oxidoreductase/Carboxylase
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 | 88.466, 59.803, 105.463 |
Unit cell angles | 90.00, 102.28, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.920 |
R-factor | 0.167 |
Rwork | 0.164 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mo9 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.453 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.930 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.093 | |
Number of reflections | 83625 | |
<I/σ(I)> | 5.5 | |
Completeness [%] | 95.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 294 | 0.17 M SODIUM ACETATE, 0.085 M TRIS-HCL, 25.5% PEG4000, 15% GLYCEROL, VAPOR DIFFUSION, HANGING DROP, temperature 294K, pH 6.5 |