5VSF
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17
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 | 2017-03-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.851, 96.088, 102.101 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.962 - 1.700 |
R-factor | 0.1617 |
Rwork | 0.161 |
R-free | 0.18530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hna |
RMSD bond length | 0.007 |
RMSD bond angle | 1.096 |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.960 | 19.962 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.038 | 0.628 | |
Rmeas | 0.082 | 0.041 | 0.682 |
Rpim | 0.031 | 0.016 | 0.262 |
Total number of observations | 519519 | ||
Number of reflections | 78227 | 11424 | |
<I/σ(I)> | 15.5 | 15.6 | 1.2 |
Completeness [%] | 96.1 | 96.6 | 97.3 |
Redundancy | 6.6 | 6.5 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 290 | 10 % PEG 20K, 1.4% v/v 1,4-Dioxane, 10% glycerol, 0 0.1 M Bicine, pH 9.0 |