2CD8
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2005-12-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.401, 92.102, 67.574 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 39.840 - 1.700 |
| R-factor | 0.29 |
| Rwork | 0.290 |
| R-free | 0.33300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bvj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.420 |
| Number of reflections | 78149 | |
| <I/σ(I)> | 22.9 | 2.8 |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 20% PEG 3350, 0.2 M MGCL2, 0.5 MM DTT, 1 MM YC-17, pH 7.50 |
