5CEH
Structure of histone lysine demethylase KDM5A in complex with selective inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2013-05-10 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 159.306, 159.306, 92.462 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.830 - 3.140 |
| R-factor | 0.222 |
| Rwork | 0.221 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.297 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
| Rmerge | 0.136 | 0.090 | 0.820 |
| Rmeas | 0.100 | 0.915 | |
| Rpim | 0.041 | 0.397 | |
| Number of reflections | 23075 | ||
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 96.8 | 96.2 | 94.6 |
| Redundancy | 5.3 | 5.4 | 4.7 |
| CC(1/2) | 0.991 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG3350, 0.1 M HEPES, pH 7.3, 12% glycerol |
