5CJO

Crystal Structure Analysis of Elbow-Engineered-Fab-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Insulin

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	CCD
Collection date	2015-06-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	P 2 21 21
Unit cell lengths	75.689, 109.218, 263.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.450 - 3.287
R-factor	0.1985
Rwork	0.196
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nxo
RMSD bond length	0.003
RMSD bond angle	0.730
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.340
High resolution limit [Å]	3.280	3.280
Rmerge	0.100
Rmeas	0.167	0.937
Rpim	0.043	0.253
Number of reflections	34037
<I/σ(I)>	18.1
Completeness [%]	99.8
Redundancy	15
CC(1/2)		0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291.15	6% v/v Tacsimate pH 7.0, 0.1 M HEPES pH 7.0, 8% w/v Polyethylene glycol monomethyl ether 5,000, and 8% v/v tert-butanol as additive.