6PDF
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 55
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 | 46.066, 56.098, 122.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.387 - 2.220 |
| R-factor | 0.1813 |
| Rwork | 0.180 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ba2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.942 |
| 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] | 41.387 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rpim | 0.037 | 0.287 |
| Number of reflections | 16335 | 1616 |
| <I/σ(I)> | 16.3 | 3.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.1 | 7.2 |
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 |
