3WQH

Crystal Structure of human DPP-IV in complex with Anagliptin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-14
Detector	RAYONIX MX225HE
Spacegroup name	P 21 21 21
Unit cell lengths	65.160, 68.990, 419.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.670 - 2.850
Rwork	0.227
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bjm
RMSD bond length	0.012
RMSD bond angle	1.853
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PRIME-X (2.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.110	2.920
High resolution limit [Å]	2.850	2.850
Rmerge	0.149
Number of reflections	45509
<I/σ(I)>	12.1
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	293	18% PEG 4000, 15% PEG 1000, 0.15M Na/K-Phosphate, pH 6.5, VAPOR DIFFUSION, temperature 293K