2AJ8

Porcine dipeptidyl peptidase IV (CD26) in complex with 7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione (BDPX)

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	2004-05-29
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	P 1
Unit cell lengths	63.110, 118.960, 133.760
Unit cell angles	112.79, 95.74, 90.63

Refinement procedure

Resolution	39.450 - 2.110
Rwork	0.197
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1orv
RMSD bond length	0.011
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.450	99.000	2.090
High resolution limit [Å]	2.070	7.080	2.070
Rmerge	0.054	0.032	0.444
Number of reflections	212238
Completeness [%]	97.7

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, SITTING DROP, temperature 293.0K