3M1V
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 | 20.150 - 1.450 |
R-factor | 0.13609 |
Rwork | 0.135 |
R-free | 0.16217 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.032 |
RMSD bond angle | 2.468 |
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 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.062 | 0.440 |
Number of reflections | 405349 | |
<I/σ(I)> | 20.226 | 3.2 |
Completeness [%] | 99.5 | 99.7 |
Redundancy | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 282 | PEG 400, magnesium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 282K |