4UBS
The crystal structure of cytochrome P450 105D7 from Streptomyces avermitilis in complex with Diclofenac
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 139.897, 139.897, 65.268 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.400 - 2.200 |
| R-factor | 0.1794 |
| Rwork | 0.177 |
| R-free | 0.22830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.134 |
| Data reduction software | HKL |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.400 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 37612 | |
| <I/σ(I)> | 32.9 | 4.4 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 10.8 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Sodium chloride, Na/K phosphate, PEG200, 40% tert-butanol |
