3CWW

Crystal Structure of IDE-bradykinin complex

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	2006-04-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.03320
Spacegroup name	P 65
Unit cell lengths	262.448, 262.448, 90.628
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.770 - 1.960
R-factor	0.183
Rwork	0.181
R-free	0.20800
Starting model (for MR)	2jg4
RMSD bond length	0.010
RMSD bond angle	1.136
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	1.960	1.960
Number of reflections	248865
<I/σ(I)>	15.7	1.75
Completeness [%]	97.6	93.1
Redundancy	2.4	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	291	13% PEGMME 5000, 100mM HEPES, pH 7.0, 10%, Tacsimate, 10% dioxane, vapor diffusion, temperature 291K