2CA0
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-28 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.088, 91.972, 68.901 |
| Unit cell angles | 90.00, 89.92, 90.00 |
Refinement procedure
| Resolution | 32.410 - 2.850 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.33800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bvj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| 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 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.100 | 0.160 |
| Number of reflections | 17855 | |
| <I/σ(I)> | 14.1 | 3.8 |
| Completeness [%] | 93.4 | 75.8 |
| Redundancy | 2.5 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 10% PEG MME 5000,0.1 M MES 6.5, 0.1 M AMMONIUM SULFATE, 0.5 MM DTT 1 MM YC-17, pH 6.50 |
