3QBJ

Crystal structure of dipeptidyl peptidase IV in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-29
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	65.751, 69.082, 424.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.110 - 2.210
R-factor	0.2034
Rwork	0.202
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.110
Data scaling software	SCALA (3.2.5)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.409	42.409	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.101	0.054	0.392
Number of reflections	79656
<I/σ(I)>	14.7	11.8	1.8
Completeness [%]	80.3	68.7	55.5
Redundancy	5.6	4.9	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1