2AJC

Porcine dipeptidyl peptidase IV (CD26) in complex with 4-(2-Aminoethyl)-benzene sulphonyl fluoride (AEBSF)

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	62.350, 118.680, 133.680
Unit cell angles	112.76, 95.16, 90.95

Refinement procedure

Resolution	39.900 - 1.950
Rwork	0.202
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1orv
RMSD bond length	0.012
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]	40.000	40.000	1.970
High resolution limit [Å]	1.950	6.660	1.950
Rmerge	0.035	0.020	0.338
Number of reflections	247685
Completeness [%]	96.8

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