7T7L
Structure of human G9a SET-domain (EHMT2) in complex with covalent inhibitor (Compound 1)
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 | 2016-12-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.821, 72.303, 85.029 |
| Unit cell angles | 71.15, 86.17, 89.10 |
Refinement procedure
| Resolution | 68.425 - 2.200 |
| R-factor | 0.2065 |
| Rwork | 0.204 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ttf |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 80.299 | 68.425 | 2.320 |
| High resolution limit [Å] | 1.959 | 6.960 | 2.200 |
| Rmerge | 0.038 | 0.416 | |
| Rmeas | 0.089 | 0.051 | 0.550 |
| Rpim | 0.058 | 0.033 | 0.355 |
| Total number of observations | 152076 | 4763 | 22212 |
| Number of reflections | 63720 | 2010 | 9213 |
| <I/σ(I)> | 8.9 | 20.2 | 2.4 |
| Completeness [%] | 98.2 | 97.9 | 97.4 |
| Redundancy | 2.4 | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290.15 | 2% v/v 1,4-Dioxane, 10% w/v Polyethylene glycol 20,000 |
