5A8K
METHYL-COENZYME M REDUCTASE FROM METHANOTHERMOBACTER WOLFEII AT 1.4 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2014-07-26 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.140, 150.540, 187.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.467 - 1.410 |
| R-factor | 0.1151 |
| Rwork | 0.114 |
| R-free | 0.13970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pot |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.412 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.470 | 1.490 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.120 | 0.830 |
| Number of reflections | 453580 | |
| <I/σ(I)> | 10.7 | 2.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 8 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 281 | 37% (V/V) 2-ETHOXYETHANOL, 50 MM CALCIUM ACETATE, AND 100 MM HEPES PH 7.0 AT 8 DEGREE CELSIUS |
