5E0E
Crystal Structure of Cytochrome P450 2B37 from Desert Woodrat in complex with 4-(4-chlorophenyl)imidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | I 41 |
Unit cell lengths | 144.770, 144.770, 104.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.360 - 3.400 |
R-factor | 0.21557 |
Rwork | 0.212 |
R-free | 0.29043 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1suo |
RMSD bond length | 0.016 |
RMSD bond angle | 1.839 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.360 | 3.480 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.110 | |
Number of reflections | 14619 | |
<I/σ(I)> | 6.2 | 1.6 |
Completeness [%] | 97.8 | 91.9 |
Redundancy | 3.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M Bis-Tris and 45% Polypropylene Glycol P400 |