1SPJ

STRUCTURE OF MATURE HUMAN TISSUE KALLIKREIN (HUMAN KALLIKREIN 1 OR KLK1) AT 1.70 ANGSTROM RESOLUTION WITH VACANT ACTIVE SITE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	103
Detector technology	CCD
Collection date	2003-03-09
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	44.719, 76.404, 76.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.600 - 1.700
R-factor	0.172
Rwork	0.172
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.600	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.061	0.385
Number of reflections	27997
<I/σ(I)>		5.868
Completeness [%]		89.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	24% POLY ETHYLENE GLYCOL 3350, 100 mM Tris 6.5,150 mM CALCIUM ACETATE,, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K