3B4X
Crystal Structure Analysis of Sulfolobus tokodaii strain7 cytochrom P450
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 135.286, 55.168, 51.415 |
Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
Resolution | 39.580 - 1.940 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ue8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.580 | 2.010 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.056 | 0.277 |
Number of reflections | 25507 | |
<I/σ(I)> | 9.5 | |
Completeness [%] | 90.4 | 67 |
Redundancy | 4.3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 20% PEG 4000, 0.2M ammonium sulphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |