9OOH
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 10b
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 | 2020-06-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953729987144 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.665, 57.154, 120.021 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.387 - 2.050 |
| R-factor | 0.2012 |
| Rwork | 0.199 |
| R-free | 0.24720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.909 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1-2575_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.390 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.126 | 0.683 |
| Rmeas | 0.133 | 0.721 |
| Rpim | 0.043 | 0.225 |
| Number of reflections | 20798 | 2033 |
| <I/σ(I)> | 13.32 | 3.13 |
| Completeness [%] | 99.1 | 99.36 |
| Redundancy | 9.8 | 9.7 |
| CC(1/2) | 0.997 | 0.909 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 0.1 M HEPES pH7.5, 0.2-0.3 M NaCl, 12.5-15% PEG3350 |
