1JME
Crystal Structure of Phe393His Cytochrome P450 BM3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.5 |
Synchrotron site | SRS |
Beamline | PX9.5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-05-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.3 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.842, 153.102, 61.479 |
Unit cell angles | 90.00, 94.67, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.000 |
R-factor | 0.1793 |
Rwork | 0.179 |
R-free | 0.23120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hpd |
RMSD bond length | 0.006 |
RMSD bond angle | 1.800 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.054 | 0.138 * |
Total number of observations | 480222 * | |
Number of reflections | 73016 | |
<I/σ(I)> | 19.4 | |
Completeness [%] | 96.9 | |
Redundancy | 6.58 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 4 * | PEG 8000, PIPES, magnesium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium PIPES | 100 (mM) | |
2 | 1 | reservoir | 40 (mM) | ||
3 | 1 | reservoir | PEG8000 | 18-21 (%) | |
4 | 1 | drop | protein | 41.7 (mg/ml) | |
5 | 1 | drop | Tris-HCl | 50 (mM) | |
6 | 1 | drop | EDTA | 1 (mM) |