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 |
