6EDS
Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Glucagon and Substrate-selective Macrocyclic Inhibitor 63
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979341 |
Spacegroup name | P 65 |
Unit cell lengths | 263.119, 263.119, 90.322 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 131.559 - 3.181 |
R-factor | 0.178934820394 |
Rwork | 0.177 |
R-free | 0.22208 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lte |
RMSD bond length | 0.004 |
RMSD bond angle | 0.645 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 131.559 | 3.236 |
High resolution limit [Å] | 3.180 | 3.181 |
Rmerge | 0.369 | |
Rmeas | 0.378 | |
Rpim | 0.083 | |
Number of reflections | 60302 | |
<I/σ(I)> | 10.98 | |
Completeness [%] | 100.0 | |
Redundancy | 20.9 | |
CC(1/2) | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M HEPES pH 7.0, 12% Tacsimate pH 7.0, 13% PEGMME, 10% Dioxane |