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) |