4URA
Crystal structure of human JMJD2A in complex with compound 14a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-07 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 101.040, 149.660, 57.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.134 - 2.230 |
| R-factor | 0.209 |
| Rwork | 0.207 |
| R-free | 0.25900 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.132 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.130 | 2.290 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.090 | 0.830 |
| Number of reflections | 43239 | |
| <I/σ(I)> | 15.9 | 2.3 |
| Completeness [%] | 99.2 | 97.6 |
| Redundancy | 6.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.9 | 0.1M BIS-TRIS PH 5.9, 0.15M AMMONIUM SULFATE, 11% PEG3350 |
