5T4B

Human DPP4 in complex with a ligand 34a

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	2010-08-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	117.610, 125.680, 137.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.050 - 1.760
R-factor	0.1597
Rwork	0.158
R-free	0.18580
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1x70
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	REFMAC
Refinement software	BUSTER (2.9.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.000	54.048	1.850
High resolution limit [Å]	1.760	5.560	1.760
Rmerge		0.029	0.488
Number of reflections	200317
<I/σ(I)>	18.4	19.7	1.6
Completeness [%]	99.4	99.8	98.8
Redundancy	6.7	6.4	6.7

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