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 |