5K4L
Crystal structure of KDM5A in complex with a naphthyridone inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2014-06-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 31 |
Unit cell lengths | 159.141, 159.141, 92.109 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.503 - 3.179 |
R-factor | 0.2237 |
Rwork | 0.222 |
R-free | 0.25700 |
RMSD bond length | 0.011 |
RMSD bond angle | 0.965 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 3.260 |
High resolution limit [Å] | 3.179 | 3.179 |
Rmerge | 0.099 | 0.502 |
Number of reflections | 40754 | |
<I/σ(I)> | 7.8 | 1.1 |
Completeness [%] | 93.3 | 90.1 |
Redundancy | 2.8 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.3 | 292 | 20% PEG3350, 0.1 M HEPES, pH 7.3, and 12% glycerol |