1MPW
Molecular Recognition in (+)-a-Pinene Oxidation by Cytochrome P450cam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-01-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.903, 62.517, 95.698 |
| Unit cell angles | 90.00, 90.28, 90.00 |
Refinement procedure
| Resolution | 41.280 - 2.340 |
| Rwork | 0.204 |
| R-free | 0.26000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.280 | 2.410 |
| High resolution limit [Å] | 2.340 | 2.330 |
| Rmerge | 0.086 * | |
| Total number of observations | 300428 * | |
| Number of reflections | 33002 * | |
| Completeness [%] | 97.1 * | 84.3 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.5 | 291 | PEG8000, sodium acetate, sodium cacodylate, pH 6.5, EVAPORATION, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | cacodylate | 100 (mM) | pH6.5 |
| 2 | 1 | drop | 200 (mM) | ||
| 3 | 1 | drop | protein | 8 (mg/ml) | |
| 4 | 1 | reservoir | PEG8000 | 30 (%) | |
| 5 | 1 | reservoir | cacodylate | 100 (mM) | pH6.5 |
| 6 | 1 | reservoir | sodium acetate | 200 (mM) |
