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