6PDC
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42
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 | 46.183, 56.837, 122.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.689 - 1.960 |
| R-factor | 0.1785 |
| Rwork | 0.177 |
| R-free | 0.20530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ba2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.847 |
| 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] | 41.689 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rpim | 0.039 | 0.336 |
| Number of reflections | 22986 | 2294 |
| <I/σ(I)> | 14.1 | 2.5 |
| Completeness [%] | 96.1 | 96.9 |
| Redundancy | 6.2 | 6.2 |
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 |
