4D6Q
crystal structure of human JMJD2D in complex with 2,4-PDCA
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 | 2012-05-10 |
Detector | DECTRIS PIXEL |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.910, 71.910, 151.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.435 - 1.292 |
R-factor | 0.1361 |
Rwork | 0.135 |
R-free | 0.16130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.079 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.430 | 1.330 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.070 | 0.680 |
Number of reflections | 99689 | |
<I/σ(I)> | 15.9 | 2.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.2 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 27% PEG3350 -- 0.1M HEPES PH 7.0 -- 0.25M AMMONIUM SULFATE |