3P6T
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-23 |
| Detector | MARmosaic 325 |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.423, 74.280, 92.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.900 |
| R-factor | 0.2084 |
| Rwork | 0.206 |
| R-free | 0.25120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.484 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.836 | 26.449 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.069 | 0.032 | 0.490 |
| Total number of observations | 4429 | 21197 | |
| Number of reflections | 35978 | ||
| <I/σ(I)> | 11.5 | 19.3 | 1.2 |
| Completeness [%] | 99.7 | 91.1 | 99.9 |
| Redundancy | 4.1 | 3.9 | 4.1 |
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 |
