4GS8

Structure analysis of cysteine free insulin degrading enzyme (ide) with compound bdm43079 [{[(s)-2-(1h-imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid

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	IMAGE PLATE
Collection date	2010-01-28
Detector	MAR scanner 345 mm plate
Spacegroup name	P 65
Unit cell lengths	263.553, 263.553, 91.095
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.990
R-factor	0.181
Rwork	0.178
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cww
RMSD bond length	0.019
RMSD bond angle	1.818
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASES
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	50.000
High resolution limit [Å]	2.990	2.990
Number of reflections	69469
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7		10-13% PEG MME 5000, 100 MM HEPES PH 7.0, 4-14% TACSIMATE, 10% DIOXANE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K