3OC0

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

Replaces:  3KWH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	90
Spacegroup name	P 21 21 21
Unit cell lengths	65.561, 68.487, 421.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.700
Rwork	0.236
R-free	0.28600
Structure solution method	FOURIER SYNTHESIS
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	12.000
High resolution limit [Å]	2.700
Number of reflections	38001
Completeness [%]	75.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1