2YOO
Cholest-4-en-3-one bound 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 | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.683, 106.213, 126.536 |
| Unit cell angles | 90.00, 90.67, 90.00 |
Refinement procedure
| Resolution | 126.530 - 1.690 |
| R-factor | 0.16768 |
| Rwork | 0.165 |
| R-free | 0.21908 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4BB8 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.985 |
| 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] | 106.210 | 1.780 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.090 | 0.500 |
| Number of reflections | 156144 | |
| <I/σ(I)> | 6.8 | 1.5 |
| Completeness [%] | 93.5 | 65.8 |
| Redundancy | 2.2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 24% PEG 3350, 0.2 M MGCL2, 0.1 M MES, PH 6.0 |
