3T6J

Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 3.0 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-31
Detector	MAR CCD 165 mm
Wavelength(s)	0.81230
Spacegroup name	C 1 2 1
Unit cell lengths	120.013, 107.274, 65.478
Unit cell angles	90.00, 93.67, 90.00

Refinement procedure

Resolution	19.600 - 2.976
R-factor	0.2382
Rwork	0.237
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fvy
RMSD bond length	0.007
RMSD bond angle	0.846
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.907	19.901	3.130
High resolution limit [Å]	2.973	9.400	2.973
Rmerge		0.011	0.245
Rmeas		0.015	0.315
Rpim		0.009	0.195
Total number of observations		1085	5056
Number of reflections	16399
<I/σ(I)>	8.1	18.9	3
Completeness [%]	96.6	84.1	92.4
Redundancy	2.4	2.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.2	293	0.056M Sodium phosphate monobasic monohydrate, 1.344M Potassium phosphate dibasic, pH 8.2, vapor diffusion, temperature 293K