4UF0
Crystal structure of JmjC domain of human histone demethylase UTY 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 | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Collection date | 2014-11-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.494, 110.458, 119.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.030 - 1.780 |
| R-factor | 0.15184 |
| Rwork | 0.149 |
| R-free | 0.21517 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zli |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.714 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CCP4I |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.030 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.060 | 0.060 |
| Number of reflections | 114771 | |
| <I/σ(I)> | 19.51 | 2.86 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 25% PEG3350, 0.1M BIS-TRIS PH 6.5 |
