9GAL
3-methylbenzoyl-CoA reductase from Thauera chlorobenzoica (subunits MbdON ) + ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 235.920, 157.900, 165.150 |
| Unit cell angles | 90.00, 90.47, 90.00 |
Refinement procedure
| Resolution | 47.810 - 2.150 |
| R-factor | 0.2428 |
| Rwork | 0.238 |
| R-free | 0.25990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.374 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.250 |
| High resolution limit [Å] | 2.150 | 12.000 | 2.150 |
| Rmerge | 0.106 | 0.031 | 1.522 |
| Rmeas | 0.124 | 0.037 | 1.769 |
| Number of reflections | 326536 | 1899 | 41456 |
| <I/σ(I)> | 8.41 | ||
| Completeness [%] | 99.7 | ||
| Redundancy | 3.7 | ||
| CC(1/2) | 0.997 | 0.998 | 0.366 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 5000, TRIS, pH 8.5, lithium sulfate, ADP, magnesium chloride, benzoyl-CoA |
