6H4Y
Crystal structure of human KDM4A in complex with compound 17e
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.050, 100.760, 143.170 |
Unit cell angles | 90.00, 99.56, 90.00 |
Refinement procedure
Resolution | 57.240 - 2.380 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oq7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
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] | 100.760 | 2.440 |
High resolution limit [Å] | 2.380 | 2.380 |
Rmerge | 0.099 | 1.249 |
Number of reflections | 65181 | 4834 |
<I/σ(I)> | 9.2 | 1.3 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.5 | 6.9 |
CC(1/2) | 0.996 | 0.511 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 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 |