3M2V
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.90020 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.016, 118.260, 122.387 |
Unit cell angles | 90.00, 91.84, 90.00 |
Refinement procedure
Resolution | 19.930 - 1.800 |
R-factor | 0.15182 |
Rwork | 0.150 |
R-free | 0.19540 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.028 |
RMSD bond angle | 2.059 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.5.0072) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.084 | 0.477 |
Number of reflections | 211803 | |
<I/σ(I)> | 21.808 | 3.913 |
Completeness [%] | 99.8 | 100 |
Redundancy | 5.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 282 | PEG 400, magnesium acetate, vapor diffusion, sitting drop, temperature 282K |