2RFC
Ligand bound (4-phenylimidazole) Crystal Structure of a Cytochrome P450 from the Thermoacidophilic Archaeon Picrophilus Torridus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-04 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.520, 141.010, 101.030 |
Unit cell angles | 90.00, 90.30, 90.00 |
Refinement procedure
Resolution | 41.850 - 3.100 |
R-factor | 0.229 |
Rwork | 0.229 |
R-free | 0.33400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.850 | 3.150 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.122 | 0.122 |
Number of reflections | 23827 | |
<I/σ(I)> | 8.72 | 1.93 |
Completeness [%] | 95.4 | 98.1 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.05M sodium chloride, 0.1M HEPES, 30% polyethyleneglycol 4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |