3EKB
Crystal structure of the A264C mutant heme domain 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 | 2006-08-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.883, 118.692, 146.629 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.680 - 2.300 |
R-factor | 0.21972 |
Rwork | 0.215 |
R-free | 0.30189 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ij3 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.011 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.100 |
Rmerge | 0.070 |
Number of reflections | 51268 |
<I/σ(I)> | 14.2 |
Completeness [%] | 86.6 |
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 |