5A7S
Crystal structure of human JMJD2A in complex with compound 44
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-07 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 57.070, 100.760, 149.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.194 - 2.200 |
Rwork | 0.171 |
R-free | 0.22750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oq7 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.760 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.070 | 0.560 |
Number of reflections | 43913 | |
<I/σ(I)> | 12.3 | 2.8 |
Completeness [%] | 98.8 | 97.8 |
Redundancy | 5.6 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 30% PEG3350 -- 0.1M TRIS PH 8.5 -- 0.25M AMMONIUM SULFATE |