3AHN

PZ PEPTIDASE A with Inhibitor 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	93
Collection date	2006-11-01
Spacegroup name	P 1 21 1
Unit cell lengths	56.379, 194.148, 59.924
Unit cell angles	90.00, 106.22, 90.00

Refinement procedure

Resolution	19.970 - 1.800
R-factor	0.18888
Rwork	0.188
R-free	0.20038
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.337
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.970
High resolution limit [Å]	1.800
Number of reflections	104042

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	The purified protein solution, concentrated to about 20 mg/ml in 50 mM Tris-HCl (pH7.5), was incubated in the absence or presence of the inhibitor in 12% (w/v) PEG 4000, 0.5 M magnesium acetate, and 0.1 M Tris-HCl (pH 7.0) for five days by the hanging-drop vapor diffusion method at 293 K. The inhibitor at final concentrations were 0.5 mM., VAPOR DIFFUSION, HANGING DROP