9OOA
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 7
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953739 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.502, 57.450, 121.546 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.931 - 1.389 |
| R-factor | 0.1864 |
| Rwork | 0.185 |
| R-free | 0.20440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.087 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.931 | 1.440 |
| High resolution limit [Å] | 1.389 | 1.390 |
| Rmerge | 0.050 | 0.868 |
| Rmeas | 0.053 | 0.915 |
| Rpim | 0.017 | 0.284 |
| Number of reflections | 66358 | 6383 |
| <I/σ(I)> | 22.6 | 2.62 |
| Completeness [%] | 99.4 | 97.44 |
| Redundancy | 9.8 | 9.9 |
| CC(1/2) | 0.999 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 0.1 M Bis-Tris HCl pH 5.5, 0.2 M Li2SO4, 9% PEG3350 |
