2RGU

Crystal structure of complex of human DPP4 and inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-03
Detector	MARRESEARCH
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	65.300, 67.100, 419.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.600
Rwork	0.217
R-free	0.27600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.424
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.104	0.071	0.386
Number of reflections	56898
<I/σ(I)>	11.6
Completeness [%]	97.5	93.8	97.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			25% PEG 3350, 150mM MgCl2, Tris-HCl pH 8.1, 15% Glycerol, VAPOR DIFFUSION, HANGING DROP