1NU8

Crystal structure of human dipeptidyl peptidase IV (DPP-IV) in complex with Diprotin A (IPI)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2002-03-12
Detector	MARRESEARCH
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	65.136, 67.067, 419.635
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.500
R-factor	0.225
Rwork	0.225
R-free	0.28200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.019 *
RMSD bond angle	2.070 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.091 *	0.159 *
Total number of observations	171090 *
Number of reflections	64208
Completeness [%]	97.5	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	Peg, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG3350	20-25 (%)
3	1	reservoir		200 (mM)
4	1	reservoir	Tris		pH8.5
5	1	reservoir	glycerol	15 (%)