8DD5
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2018-12-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 59.630, 59.630, 209.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.360 - 2.580 |
| R-factor | 0.233 |
| Rwork | 0.232 |
| R-free | 0.26300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.250 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.360 | 2.820 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.128 | |
| Rpim | 0.038 | 0.634 |
| Number of reflections | 9547 | 477 |
| <I/σ(I)> | 15 | 1.4 |
| Completeness [%] | 92.6 | 16.6 |
| Redundancy | 12.3 | 10.9 |
| CC(1/2) | 0.999 | 0.661 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM sodium chloride 100 mM HEPES (pH 6.64) 1.8 M ammonium sulfate |
