1SMJ
Structure of the A264E mutant of cytochrome P450 BM3 complexed with palmitoleate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-08-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.900 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.312, 166.886, 224.937 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.750 |
| R-factor | 0.25751 |
| Rwork | 0.253 |
| R-free | 0.33848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fag |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.933 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.820 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.069 | 0.491 |
| Number of reflections | 53600 | |
| <I/σ(I)> | 30.9 | 3.7 |
| Completeness [%] | 99.9 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 277 | PEG 2000, MME, 100mM magnesium acetate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
