2CV3

Crystal structure of porcine pancreatic elastase complexed with a macroclyclic peptide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-11-11
Detector	RIGAKU RAXIS
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	50.883, 57.349, 74.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.21
Rwork	0.162
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.900
Number of reflections	17458
Completeness [%]	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	Sodium sulfate, sodium aceteate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K