5VMP
Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2016-06-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.140, 101.429, 142.673 |
| Unit cell angles | 90.00, 99.85, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.480 |
| R-factor | 0.1965 |
| Rwork | 0.193 |
| R-free | 0.25990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pdq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.635 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.570 |
| High resolution limit [Å] | 2.480 | 5.340 | 2.480 |
| Rmerge | 0.127 | 0.067 | 0.664 |
| Total number of observations | 214006 | ||
| Number of reflections | 57177 | 5856 | 5695 |
| <I/σ(I)> | 5.7 | ||
| Completeness [%] | 99.0 | 99.5 | 99.8 |
| Redundancy | 3.7 | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 22% PEG4K, 100mM HEPES pH 7.5 |
