4C9O
Structure of Cyanide and Camphor bound D259N mutant of 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 | 2013-03-30 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 152.377, 152.377, 197.426 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.802 - 1.977 |
| R-factor | 0.1489 |
| Rwork | 0.147 |
| R-free | 0.18170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lxi |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.373 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.100 | 0.610 |
| Number of reflections | 94411 | |
| <I/σ(I)> | 24 | 5.1 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 14.5 | 14.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 100MM TRIS, PH 8.2, 1.6M AMMONIUM SULPHATE |
