6PDB
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80
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 | 46.115, 56.766, 121.896 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.132 - 2.420 |
| R-factor | 0.1874 |
| Rwork | 0.186 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ba2 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.694 |
| 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] | 43.132 | 2.510 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rpim | 0.039 | 0.303 |
| Number of reflections | 12782 | 1249 |
| <I/σ(I)> | 16.3 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.3 |
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 |
