25VX
Crystal Structure of MYST histone acetyltransferase KAT6A in complex with inhibitor Compound 9
This is a non-PDB format compatible entry.
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 | 2021-04-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.190, 57.622, 122.036 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.020 - 2.290 |
| R-factor | 0.2026 |
| Rwork | 0.199 |
| R-free | 0.26583 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.994 |
| Data reduction software | CrystalClear |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.190 | 2.370 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.082 | 0.305 |
| Number of reflections | 15264 | 1397 |
| <I/σ(I)> | 17.6 | |
| Completeness [%] | 99.5 | |
| Redundancy | 12.9 | |
| CC(1/2) | 0.999 | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2M Sod. Malonate, pH 6.0, 20% PEG 3350 |
