2NNB
The Q403K mutant heme domain of flavocytochrome P450 BM3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.753, 152.792, 61.504 |
Unit cell angles | 90.00, 94.67, 90.00 |
Refinement procedure
Resolution | 24.000 - 1.900 |
R-factor | 0.1845 |
Rwork | 0.182 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hpd |
RMSD bond length | 0.024 |
RMSD bond angle | 1.912 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.067 | 0.343 |
Number of reflections | 82572 | |
<I/σ(I)> | 16.8 | 2.6 |
Completeness [%] | 97.4 | 84.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 100mM PIPES, 40mM MgSO4, 18-21% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |