5A7N
Crystal structure of human JMJD2A in complex with compound 43
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 | 2013-08-07 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 101.120, 149.760, 57.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.996 - 2.390 |
R-factor | 0.1855 |
Rwork | 0.183 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oq7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.084 |
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] | 54.000 | 2.450 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.110 | 0.830 |
Number of reflections | 35446 | |
<I/σ(I)> | 12.3 | 2.4 |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 6.6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 22% PEG3350 -- 0.1M BIS-TRIS PH 7.5 -- 0.25M AMMONIUM SULFATE |