3OFI

Crystal structure of human insulin-degrading enzyme in complex with ubiquitin

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	2008-10-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	262.943, 262.943, 90.968
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.350
R-factor	0.21116
Rwork	0.210
R-free	0.23983
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g47
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.162	0.062	0.533
Number of reflections	148306
<I/σ(I)>	8.2
Completeness [%]	100.0	99.8	99.8
Redundancy	5.6	6.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	10-13% PEG MME 5000, 100 MM HEPES PH 7.0. 4-14% Tacsimate, 10% Dioxane, vapor diffusion, hanging drop, temperature 291K