3T6B

Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 2.4 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	61.970, 107.550, 119.100
Unit cell angles	90.00, 90.67, 90.00

Refinement procedure

Resolution	54.709 - 2.400
R-factor	0.1999
Rwork	0.197
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fvy
RMSD bond length	0.004
RMSD bond angle	0.869
Data reduction software	MOSFLM
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]	119.092	54.709	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.061	0.391
Rmeas		0.076	0.495
Rpim		0.043	0.300
Total number of observations		4422	20656
Number of reflections	55412
<I/σ(I)>	5.7	9.7	2.8
Completeness [%]	91.2	83.7	94.1
Redundancy	2.5	2.7	2.5

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