6H4U
Crystal structure of human KDM4A in complex with compound 34b
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9282 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.966, 104.220, 145.035 |
Unit cell angles | 90.00, 99.57, 90.00 |
Refinement procedure
Resolution | 49.300 - 2.210 |
R-factor | 0.177 |
Rwork | 0.176 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oq7 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.300 | 2.250 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.088 | 2.555 |
Number of reflections | 86644 | 4589 |
<I/σ(I)> | 11.7 | 0.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.9 | 7 |
CC(1/2) | 0.997 | 0.306 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Crystallisation solution is 0.1M Bis-Tris-Propane pH7.5, 12-16% PEG-4000. Inhibitor is soaked in crystals by addition directly to the drops of DMSO dissolved compound |