6IQ5
Crystal Structure of CYP1B1 and Inhibitor Having Azide Group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2018-02-26 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 41 |
| Unit cell lengths | 135.190, 135.190, 302.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.800 - 3.700 |
| Rwork | 0.356 |
| R-free | 0.39631 |
| RMSD bond length | 0.031 |
| RMSD bond angle | 1.704 |
| Data reduction software | MOSFLM |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.800 | 3.920 |
| High resolution limit [Å] | 3.700 | 3.700 |
| Number of reflections | 28823 | |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | pH7.4, PEG 8000, ethylene glycol, HEPES, CHPAS |
