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 |