2IJ3
Structure of the A264H 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 | 2004-06-18 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.703, 155.173, 62.198 |
Unit cell angles | 90.00, 94.19, 90.00 |
Refinement procedure
Resolution | 19.980 - 1.900 |
R-factor | 0.17887 |
Rwork | 0.177 |
R-free | 0.21821 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ij2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.124 |
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] | 1.900 |
Rmerge | 0.071 |
Number of reflections | 81622 |
<I/σ(I)> | 11.1 |
Completeness [%] | 98.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | PEG and Magnesium sulphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |