1E6Y
Methyl-coenzyme M reductase from Methanosarcina barkeri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 113.678, 153.099, 153.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.16 |
| Rwork | 0.160 |
| R-free | 0.17900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mro |
| RMSD bond length | 0.005 |
| RMSD bond angle | 25.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (0.3) |
| Refinement software | CNS (0.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.620 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.059 | 0.259 |
| Number of reflections | 326507 | |
| <I/σ(I)> | 16.2 | 5.3 |
| Completeness [%] | 93.5 | 92.3 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 14 * | pH 7.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | |
| 3 | 1 | reservoir | mPEG5000 | 10 (%(w/v)) | |
| 4 | 1 | reservoir | 2-propanol | 10 (%(w/v)) | |
| 5 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 6 | 1 | reservoir | magnesium acetate | 0.1 (M) | |
| 7 | 1 | reservoir | glycerol | 20 (%(w/v)) | |
| 8 | 1 | reservoir | MES/KOH | 0.1 (M) |
