5YP4

Crystal structure of dipeptidyl peptidase IV (DPP IV) with Lys-Pro from Pseudoxanthomonas mexicana WO24

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2013-11-20
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	88.656, 104.487, 112.838
Unit cell angles	67.42, 68.83, 65.46

Refinement procedure

Resolution	40.000 - 1.900
R-factor	0.16635
Rwork	0.164
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yp1
RMSD bond length	0.019
RMSD bond angle	1.887
Data reduction software	xia2 (0.5.436)
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.082	0.316
Rmeas	0.110	0.425
Rpim	0.073	0.282
Number of reflections	245086	27199
<I/σ(I)>	6.5	2
Completeness [%]	94.2	71.5
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	12% PEG 20000, 80mM MES pH6.5, 20% Glycerol, 4mM Lys-Pro