1Z8Q
Ferrous dioxygen complex of the A245T cytochrome P450eryF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.950, 78.560, 96.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.050 - 2.000 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jio |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.500 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 25476 | |
Completeness [%] | 89.3 | 91.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 288 | Tris, Sodium Acetate, PEG 4000 , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K |