5T4F

Human DPP4 in complex with ligand 34p

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	117.974, 125.458, 137.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 1.900
R-factor	0.1565
Rwork	0.155
R-free	0.18690
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1x70
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	SCALA (3.3.15)
Phasing software	REFMAC
Refinement software	BUSTER (2.9.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	137.263	137.263	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge		0.027	0.491
Number of reflections	160030
<I/σ(I)>	18.6	20.6	1.5
Completeness [%]	100.0	99.5	100
Redundancy	6.6	6	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.27-0.30 M sodium acetate 17-18% polyethylene glycol 3350 0.1 M tris hydrochloride pH 8.0