6A16
Crystal structure of CYP90B1 in complex with uniconazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-27 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.254, 57.638, 92.279 |
Unit cell angles | 90.00, 100.43, 90.00 |
Refinement procedure
Resolution | 45.567 - 1.998 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.20220 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.632 |
Data reduction software | XDS ((1.11.1_2575: ???)) |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: 000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.570 | 2.070 |
High resolution limit [Å] | 1.998 | 1.998 |
Rmerge | 0.153 | 0.739 |
Rmeas | 0.179 | 0.863 |
Number of reflections | 35966 | 3473 |
<I/σ(I)> | 9.16 | |
Completeness [%] | 99.4 | 97.61 |
Redundancy | 3.8 | 3.7 |
CC(1/2) | 0.986 | 0.639 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.20 M potassium chloride, 0.40 M sodium chloride, 22%(w/v) PEG3,350 |