9N46
Methyl-coenzyme M Reductase red1/red1-silent ensemble
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE MFX |
| Synchrotron site | SLAC LCLS |
| Beamline | MFX |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2024-06-10 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.3007 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.323, 117.886, 125.035 |
| Unit cell angles | 90.00, 92.70, 90.00 |
Refinement procedure
| Resolution | 20.490 - 1.550 |
| R-factor | 0.1231 |
| Rwork | 0.123 |
| R-free | 0.15310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.974 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cxi.merge |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.0_5936) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.490 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 382644 | 17958 |
| <I/σ(I)> | 5.26 | 5.26 |
| Completeness [%] | 99.6 | |
| Redundancy | 54.29 | |
| CC(1/2) | 0.992 | 0.199 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 295 | 18% Polyethylene Glycol 400, 150mM Magnesium Acetate, 100mM HEPES Sodium pH-7.5 |
