5YP1

Crystal structure of dipeptidyl peptidase IV (DPP IV) 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	2012-04-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9800
Spacegroup name	P 21 21 2
Unit cell lengths	149.730, 326.190, 71.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.470
R-factor	0.22066
Rwork	0.217
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ecf
RMSD bond length	0.014
RMSD bond angle	1.696
Data reduction software	xia2 (0.5.48)
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.150	2.510
High resolution limit [Å]	2.470	2.470
Rmerge	0.125	0.834
Rmeas	0.135	0.932
Rpim	0.049	0.404
Number of reflections	125591	6043
<I/σ(I)>	14	2
Completeness [%]	99.9	97.5
Redundancy	7.5	5
CC(1/2)	0.998	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.1M HEPES pH7.5, 10% PEG 6000, 5% 2-Methyl-2,4-pentanediol