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 |