8T68
Crystal Structure of the SET Domain of Human Histone-Lysine N-Methyltransferase SUV420H1 in complex with RQ3-111
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-11 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 36.149, 75.528, 96.807 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.760 - 1.900 |
| R-factor | 0.22765 |
| Rwork | 0.226 |
| R-free | 0.26393 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.378 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.760 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.128 | 1.018 |
| Rmeas | 0.136 | 1.076 |
| Rpim | 0.043 | 0.344 |
| Total number of observations | 202834 | 12487 |
| Number of reflections | 21418 | 1318 |
| <I/σ(I)> | 11.1 | 2.5 |
| Completeness [%] | 99.4 | |
| Redundancy | 9.5 | 9.5 |
| CC(1/2) | 0.997 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 25% (w/v) PEG3350, 0.2 M MgCl2, 0.1 M HEPES pH 7.5 |
