2A1N
Crystal structure of ferrous dioxygen complex of D251N cytochrome P450cam
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-06-16 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.010, 62.130, 95.060 |
Unit cell angles | 90.00, 90.40, 90.00 |
Refinement procedure
Resolution | 33.510 - 1.900 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dz4 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data scaling software | SCALEPACK |
Phasing software | BEAST |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.510 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 58355 | |
<I/σ(I)> | 15.2 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 288 | PEG 4000, potassium chloride, Tris-HCl, D-camphor, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 288K |