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 |