7T7M
Structure of human GLP SET-domain (EHMT1) 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) | 0.97920 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.490, 128.730, 132.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.690 - 2.850 |
R-factor | 0.201 |
Rwork | 0.199 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tuz |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.330 | 3.000 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.950 | |
Number of reflections | 38903 | 38841 |
<I/σ(I)> | 11.4 | 0.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.9 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290.15 | 0.2 Magnesium Formate, 15% w/v Polyethylene glycol 3350 |