1FAG
STRUCTURE OF CYTOCHROME P450
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05-16 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 106.200, 165.200, 223.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.700 |
| R-factor | 0.246 |
| Rwork | 0.246 |
| R-free | 0.35300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SUBSTRATE-FREE P450BM-3 HEME DOMAIN |
| RMSD bond length | 0.009 |
| RMSD bond angle | 22.976 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 2.800 |
| High resolution limit [Å] | 2.600 | 2.700 |
| Rmerge | 0.071 | 0.500 |
| Number of reflections | 60630 | |
| <I/σ(I)> | 8.3 | 1.4 |
| Completeness [%] | 99.0 | 97 |
| Redundancy | 7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6 | SEE REFERENCE 1, pH 6.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.5-9 (mg/ml) | |
| 2 | 1 | drop | palmitoleic | 0.05 (%(v/v)) | |
| 3 | 1 | drop | PEG3350 | 9 (%) | |
| 4 | 1 | drop | 80 (mM) | ||
| 5 | 1 | drop | MES | 50 (mM) | |
| 6 | 1 | reservoir | PEG3350 | 18 (%) | |
| 7 | 1 | reservoir | 160 (mM) | ||
| 8 | 1 | reservoir | MES | 100 (mM) |
