4Z3Z
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Zinc
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 | 2011-05-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.282 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 124.240, 117.430, 143.080 |
| Unit cell angles | 90.00, 111.04, 90.00 |
Refinement procedure
| Resolution | 82.511 - 2.666 |
| R-factor | 0.232 |
| Rwork | 0.232 |
| R-free | 0.27420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z40 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.814 |
| 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] | 82.511 | 2.730 |
| High resolution limit [Å] | 2.666 | 2.666 |
| Rmerge | 1.690 | |
| Number of reflections | 106725 | |
| <I/σ(I)> | 6.68 | 0.95 |
| Completeness [%] | 97.3 | 91 |
| Redundancy | 3.96 | 3.88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 3.8 % PEG 4000 0.2 M LiCl 2 mM DTT 1 mM ZnSO4 0.2 M Tris pH 8.5 |
