4LTE

Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.7
Spacegroup name	P 65
Unit cell lengths	261.973, 261.973, 90.775
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	130.986 - 2.705
R-factor	0.1584
Rwork	0.158
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ypu
RMSD bond length	0.011
RMSD bond angle	1.273
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	130.990	227.680	2.764
High resolution limit [Å]	2.705	6.815	2.705
Number of reflections	97263
Completeness [%]	99.9	100	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M HEPES, 20 % PEGMME-5000, 12 % tacsimate, 10 % dioxane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K