8JMR
Crystal structure of hinokiresinol synthase in complex with 1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 3 |
Unit cell lengths | 103.831, 103.831, 103.831 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.430 - 2.200 |
R-factor | 0.1755 |
Rwork | 0.171 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.808 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.430 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.243 | 1.234 |
Number of reflections | 19260 | 1668 |
<I/σ(I)> | 14.5 | 3.7 |
Completeness [%] | 100.0 | |
Redundancy | 22.4 | |
CC(1/2) | 0.998 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM sodium cacodylate trihydrate (pH6.5), 200mM ammonium sulfate, 20% PEG 8000, 2mM inhibitor |