3KWJ

Structure of human DPP-IV with (2S,3S,11bS)-3-(3-Fluoromethyl-phenyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	65.199, 68.957, 421.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.2341
Rwork	0.232
R-free	0.27629
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.014
RMSD bond angle	1.521
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.800
Number of reflections	42710
Completeness [%]	94.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1