4Z3Y
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Benzoyl-CoA
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 | 2011-11-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 125.767, 116.256, 143.973 |
| Unit cell angles | 90.00, 110.43, 90.00 |
Refinement procedure
| Resolution | 79.804 - 2.359 |
| R-factor | 0.2419 |
| Rwork | 0.241 |
| R-free | 0.27460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z40 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.706 |
| 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] | 79.850 | 2.490 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.136 | |
| Number of reflections | 150908 | |
| <I/σ(I)> | 5.48 | 0.85 |
| Completeness [%] | 94.8 | 91.5 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 7 % (w/v) PEG 4000 0.2 M LiCl 0.1 M Tris pH 8.5 |
