6H4S
Crystal structure of human KDM4A in complex with compound 16m
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-12 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.5419 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.690, 101.373, 142.930 |
Unit cell angles | 90.00, 99.25, 90.00 |
Refinement procedure
Resolution | 49.030 - 2.450 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oq7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
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] | 49.640 | 2.520 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.300 | 2.085 |
Number of reflections | 59858 | 4700 |
<I/σ(I)> | 6.2 | 1.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.5 | 7.2 |
CC(1/2) | 0.985 | 0.325 |
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 |