4Z40
Active site complex BamBC of Benzoyl Coenzyme A reductase as isolated
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 | 2010-04-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.214 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 125.190, 116.820, 143.600 |
| Unit cell angles | 90.00, 110.39, 90.00 |
Refinement procedure
| Resolution | 49.502 - 2.350 |
| R-factor | 0.2125 |
| Rwork | 0.212 |
| R-free | 0.23790 |
| Structure solution method | SAD |
| Starting model (for MR) | 1aor |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.958 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.502 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.253 | |
| Number of reflections | 159502 | |
| <I/σ(I)> | 5.6 | 0.84 |
| Completeness [%] | 98.8 | 99.1 |
| Redundancy | 4.66 | 4.63 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 8% PEG 4000, 0.2 M LiCl, 2 mM DTT, 0.1 M Tris pH 8.5 |
