4Z3X
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1-Monoenoyl-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 | 2010-11-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.25 |
| 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 | 88.071 - 1.850 |
| R-factor | 0.1862 |
| Rwork | 0.186 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aor |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.676 |
| 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] | 88.071 | 1.960 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 1.384 | |
| Number of reflections | 306743 | |
| <I/σ(I)> | 5.46 | 0.47 |
| Completeness [%] | 92.8 | 66.2 |
| Redundancy | 2.6 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 8% PEG 4000, 0.2 M LiCl, 2 mM DTT, 0.2 M Tris pH 8.5 |
