5G0R
METHYL-COENZYME M REDUCTASE I FROM METHANOTHERMOBACTER MARBURGENSIS EXPOSED TO 3-NITROOXYPROPANOL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2014-03-09 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.200, 118.101, 122.640 |
| Unit cell angles | 90.00, 92.03, 90.00 |
Refinement procedure
| Resolution | 38.795 - 1.250 |
| R-factor | 0.1062 |
| Rwork | 0.105 |
| R-free | 0.12370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a0y |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.522 |
| 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] | 38.790 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.050 | 0.270 |
| Number of reflections | 633330 | |
| <I/σ(I)> | 14.4 | 4.4 |
| Completeness [%] | 98.5 | 98.1 |
| Redundancy | 4.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 281 | 25-28 % V/V PEG 400, 300 MM MGCL2, 200 MM NACL AND 100 MM HEPES PH 7.5 CRYSTAL GROWTH AT 8 DEGREE CELSIUS UNDER AEROBIC CONDITION |
