5TUZ
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.940, 95.780, 102.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.021 - 1.950 |
R-factor | 0.1634 |
Rwork | 0.161 |
R-free | 0.20060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hna |
RMSD bond length | 0.008 |
RMSD bond angle | 1.085 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.940 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.146 | 0.655 |
Number of reflections | 54301 | 7802 |
<I/σ(I)> | 10.5 | 3.2 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 6.8 | 6.1 |
CC(1/2) | 0.993 | 0.675 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 290 | 20% PEG 20,000, 2% (v/v) 1,4-Dioxane, 0.1 M Bicine (pH 9.0) |