1UE8
Crystal Structure of Thermophilic Cytochrome P450 from Sulfolobus tokodaii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-18B |
Synchrotron site | Photon Factory |
Beamline | BL-18B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-06-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.554, 55.130, 130.818 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.860 - 3.000 |
R-factor | 0.196 |
Rwork | 0.196 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 2.700 |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.860 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.110 | |
Number of reflections | 7519 | |
<I/σ(I)> | 6.6 | |
Completeness [%] | 93.0 | 92.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% (w/v) PEG 4000, 200mM lithium sulfate monohydrate, 100mM tris-hydrochrolide, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |