4Z3W
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1,5 Dienoyl-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 | 2011-05-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 125.340, 116.300, 144.160 |
| Unit cell angles | 90.00, 110.48, 90.00 |
Refinement procedure
| Resolution | 82.630 - 2.208 |
| R-factor | 0.1786 |
| Rwork | 0.178 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z40 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| 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] | 82.680 | 2.340 |
| High resolution limit [Å] | 2.208 | 2.208 |
| Rmerge | 0.115 | 0.670 |
| Number of reflections | 180047 | |
| <I/σ(I)> | 7.59 | 1.23 |
| Completeness [%] | 92.5 | 63.6 |
| Redundancy | 3.86 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 4.2 % PEG 4000, 0.2 M LiCl, 2 mM DTT, 1 mM ZnSO4 and 0.2 M Tris pH 8.5 |
