5FJH
Crystal structure of human JMJD2C catalytic domain in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino) -2-oxoethyl)amino)methyl)isonicotinic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-15 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 89.240, 95.920, 100.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.767 - 2.100 |
| R-factor | 0.1867 |
| Rwork | 0.185 |
| R-free | 0.22490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xml |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.770 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.590 |
| Number of reflections | 50575 | |
| <I/σ(I)> | 8.9 | 2 |
| Completeness [%] | 99.3 | 99.2 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.25 | 21% PEG 3350 5% 1,2-ETHANEDIOL 0.2 M NANO3 0.1 M BIS-TRIS PROPANE PH 7.25 |
