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 |
