1TZS

Crystal Structure of an activation intermediate of Cathepsin E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-08-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	61.321, 61.321, 207.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.500 - 2.350
Rwork	0.198
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1psn
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	CNX (2000.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.500	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.094	0.371
Number of reflections	16976
Completeness [%]	98.5	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	PEG4000, sodium citrate, ammonium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K