4D6R
crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound o-toluenesulfonamide
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 | 2012-12-20 |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 71.514, 71.514, 150.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.432 - 1.398 |
| R-factor | 0.1462 |
| Rwork | 0.145 |
| R-free | 0.17230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.084 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.430 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.060 | 0.800 |
| Number of reflections | 77903 | |
| <I/σ(I)> | 26.3 | 3.3 |
| Completeness [%] | 99.8 | 96.6 |
| Redundancy | 12.6 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 28% PEG3350, 0.1M HEPES PH 7.0, 0.2M AMMONIUM SULFATE |
