4KPB
Crystal structure of cytochrome P450 BM-3 R47E mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-20 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.963, 152.716, 62.003 |
Unit cell angles | 90.00, 94.38, 90.00 |
Refinement procedure
Resolution | 29.395 - 2.100 |
R-factor | 0.1883 |
Rwork | 0.186 |
R-free | 0.23220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.153 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | COMO |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.085 | 0.205 |
Number of reflections | 63450 | |
<I/σ(I)> | 17.1 | 6.1 |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 4.3 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 150 mM magnesium chloride, 100 mM MES, pH 6.0, 14% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |