2QJR

dipepdyl peptidase IV in complex with inhibitor PZF

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 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	65.470, 68.796, 422.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.900 - 2.200
R-factor	0.19428
Rwork	0.191
R-free	0.25299
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.026
RMSD bond angle	2.147
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.099	0.492
Number of reflections	85437
<I/σ(I)>	19.25	2.33
Completeness [%]	85.5	89
Redundancy	3.75	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP