4I8V
Human Cytochrome P450 1A1 in complex with alpha-naphthoflavone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-18 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97957 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.003, 195.491, 235.855 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.240 - 2.600 |
| Rwork | 0.188 |
| R-free | 0.24353 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hi4 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.666 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.240 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 93519 | |
| <I/σ(I)> | 12.6 | 12.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277.5 | 20% PEG 3350, 0.1 M bis-tris propane/HCl, 200 mM sodium malonate, 14% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.5K |
