1ORW

Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with a Peptidomimetic Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2000-04-12
Detector	MARRESEARCH
Wavelength(s)	1.40000
Spacegroup name	P 1
Unit cell lengths	61.970, 117.710, 133.560
Unit cell angles	112.65, 94.81, 91.17

Refinement procedure

Resolution	29.790 - 2.840
R-factor	0.187
Rwork	0.187
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	24.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MAIN
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.780
High resolution limit [Å]	2.840
Number of reflections	157559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8	293	20% PEG 2000, 0.1 M ammonium sulfate, 0.1 M Tris/HCl pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG2000	20-22 (%)
3	1	reservoir	ammonium sulfate	0.1 (M)
4	1	reservoir	Tris-HCl	0.1 (M)	pH8.0