8SRL
Crystal structure of T151V 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 | 2023-02-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 100.888, 100.888, 448.169 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.130 - 2.010 |
R-factor | 0.16857 |
Rwork | 0.167 |
R-free | 0.19136 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 1.069 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.130 | 2.130 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.152 | 2.377 |
Number of reflections | 177907 | 28339 |
<I/σ(I)> | 12.77 | |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 10.1 | |
CC(1/2) | 0.998 | 0.413 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 42% sodium polyacrylate 2100 0.05 M HEPES-NaOH pH 7 |