5F3G
Crystal structure of human KDM4A in complex with compound 53a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-03 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.5419 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.267, 100.567, 142.592 |
Unit cell angles | 90.00, 99.43, 90.00 |
Refinement procedure
Resolution | 42.500 - 2.500 |
R-factor | 0.2048 |
Rwork | 0.203 |
R-free | 0.24640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oq7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.060 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.195 | |
Number of reflections | 54102 | |
<I/σ(I)> | 11.1 | 1.2 |
Completeness [%] | 97.5 | 79.6 |
Redundancy | 13.9 | 9.2 |
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 |