6PDG
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83
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 | 45.923, 56.284, 123.743 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.634 - 1.919 |
| R-factor | 0.1922 |
| Rwork | 0.191 |
| R-free | 0.21310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ba2 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.730 |
| 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] | 41.634 | 1.990 |
| High resolution limit [Å] | 1.919 | 1.919 |
| Rpim | 0.030 | 0.376 |
| Number of reflections | 25229 | 2435 |
| <I/σ(I)> | 17.9 | 2.1 |
| Completeness [%] | 99.8 | 98.5 |
| Redundancy | 5.8 | 4.5 |
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 |
