7K1E

Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88646

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 65
Unit cell lengths	267.880, 267.880, 89.611
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.840 - 2.800
R-factor	0.1592
Rwork	0.158
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ifh
RMSD bond length	0.013
RMSD bond angle	1.477
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Number of reflections	90366	4495
<I/σ(I)>	15.7
Completeness [%]	100.0
Redundancy	20.5
CC(1/2)	0.995	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	10% PEG 5000, 100mM HEPES, 14% Tacsimate, 10% Dioxane, pH 7.0