2IJ4
Structure of the A264K mutant of cytochrome P450 BM3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-18 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.221, 120.156, 146.958 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.780 - 2.400 |
R-factor | 0.20619 |
Rwork | 0.203 |
R-free | 0.27285 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1smi |
RMSD bond length | 0.015 |
RMSD bond angle | 1.508 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.400 |
Rmerge | 0.095 |
Number of reflections | 39479 |
<I/σ(I)> | 10.2 |
Completeness [%] | 96.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | PEG and Magenesium sulphate, VAPOR DIFFUSION, SITTING DROP, pH 6.0, temperature 293K |