6PDA
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74
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 | CCD |
| Collection date | 2016-06-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.925, 56.214, 122.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.993 - 2.448 |
| R-factor | 0.1793 |
| Rwork | 0.177 |
| R-free | 0.22570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ba2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.983 |
| 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] | 42.993 | 2.540 |
| High resolution limit [Å] | 2.448 | 2.448 |
| Rpim | 0.043 | 0.296 |
| Number of reflections | 12181 | 1150 |
| <I/σ(I)> | 15 | 2.8 |
| Completeness [%] | 99.6 | 97.1 |
| Redundancy | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5 |
