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) |
