1P7R
CRYSTAL STRUCTURE OF REDUCED, CO-EXPOSED COMPLEX OF CYTOCHROME P450CAM WITH (S)-(-)-NICOTINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 103 |
Detector technology | IMAGE PLATE |
Collection date | 1997-06-20 |
Detector | RIGAKU RAXIS II |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.455, 63.455, 248.759 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.380 - 2.850 |
R-factor | 0.274 |
Rwork | 0.238 |
R-free | 0.28400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 * |
RMSD bond angle | 1.482 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.380 | 2.870 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.075 * | 70.100 * |
Number of reflections | 10395 | |
<I/σ(I)> | 12.4 | 2 |
Completeness [%] | 80.9 | 70.1 |
Redundancy | 12.9 | 0.392 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 4 * | PEG 8000, potassium phosphate, potassium chloride, dithiothreitol, nicotine, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 16-24 (%(w/v)) | |
2 | 1 | drop | protein | 20-30 (mg/ml) |