1P0X
F393Y mutant heme domain of flavocytochrome P450 BM3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-09-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8020 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.608, 152.983, 61.774 |
| Unit cell angles | 90.00, 94.54, 90.00 |
Refinement procedure
| Resolution | 17.000 - 2.000 |
| Rwork | 0.172 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 2HPD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.085 | 0.183 |
| Total number of observations | 837703 * | |
| Number of reflections | 67437 | |
| <I/σ(I)> | 10 | 2.15 |
| Completeness [%] | 91.0 | 85.8 |
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, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium PIPES | 100 (mM) | pH6.5-7.5 |
| 2 | 1 | reservoir | 40 (mM) | ||
| 3 | 1 | reservoir | PEG8000 | 18-21 (%) | |
| 4 | 1 | drop | protein | 40 (mg/ml) | |
| 5 | 1 | drop | Tris-HCl | 50 (mM) | |
| 6 | 1 | drop | EDTA | 1 (mM) | pH7.4 |
