4C9L
Structure of Cyanide and Camphor bound wild type CYP101D1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-18 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 151.529, 151.529, 196.041 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.301 - 1.801 |
| R-factor | 0.1525 |
| Rwork | 0.152 |
| R-free | 0.18250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lxi |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.402 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.600 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.380 |
| Number of reflections | 121806 | |
| <I/σ(I)> | 16.4 | 4.4 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 9.4 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 100MM TRIS PH 8.2, 1.6M AMMONIUM SULPHATE |
