4D6S
crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound 5,6-Dimethylbenzimidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-15 |
Detector | DECTRIS PIXEL |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.225, 71.225, 150.208 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.324 - 1.400 |
R-factor | 0.1404 |
Rwork | 0.139 |
R-free | 0.16390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
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] | 29.320 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.060 | 0.320 |
Number of reflections | 76648 | |
<I/σ(I)> | 27.4 | 6 |
Completeness [%] | 99.7 | 97.4 |
Redundancy | 12.6 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 28% PEG3350, 0.1M HEPES PH 7.0, 0.25M AMMONIUM SULFATE |