3ZBY
Ligand-free structure of CYP142 from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-10-19 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.051, 162.847, 266.443 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 266.440 - 1.930 |
| R-factor | 0.19177 |
| Rwork | 0.190 |
| R-free | 0.22975 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xkr |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.173 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.440 | 2.020 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.080 | 0.540 |
| Number of reflections | 287620 | |
| <I/σ(I)> | 7.1 | 1.5 |
| Completeness [%] | 94.5 | 74.4 |
| Redundancy | 2.7 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 1.4 M AMMONIUM SULPHATE, 0.1 M BIS TRIS, PH 7.5; 0.1 M LICL |
