3P6U
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C6-Dans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.759, 73.820, 92.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.700 |
| R-factor | 0.1914 |
| Rwork | 0.190 |
| R-free | 0.21420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.232 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.622 | 26.048 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.032 | 0.292 | |
| Total number of observations | 6226 | 27327 | |
| Number of reflections | 49948 | ||
| <I/σ(I)> | 15.9 | 14.7 | 2.6 |
| Completeness [%] | 99.8 | 98.7 | 100 |
| Redundancy | 3.8 | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting-drop vapor diffusion | 6.5 | 279 | 12-22% PEG 8000, 0.1M Sodium cacodylate, pH 6.5, 0.1-0.2M KCl, sitting-drop vapor diffusion, temperature 279K |
