8FU5
Crystal structure of Fe-CAO1 in complex with piceatannol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 101.192, 101.192, 449.357 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.360 - 2.010 |
R-factor | 0.17183 |
Rwork | 0.171 |
R-free | 0.19578 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 1.046 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.130 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.234 | 2.067 |
Number of reflections | 179310 | 28387 |
<I/σ(I)> | 10.54 | 1.18 |
Completeness [%] | 99.8 | 99.1 |
Redundancy | 6.8 | 6.8 |
CC(1/2) | 0.996 | 0.456 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277.15 | 0.1 M HEPES-NaOH pH 7, 42% sodium polyacrylate 2100 |