1B5F

NATIVE CARDOSIN A FROM CYNARA CARDUNCULUS L.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-04-05
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	116.964, 87.186, 81.303
Unit cell angles	90.00, 104.43, 90.00

Refinement procedure

Resolution	34.800 - 1.720
R-factor	0.205
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HUMAN CATHEPSIN D (PDB ENTRY 1LYB))
RMSD bond length	0.007
RMSD bond angle	0.025
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.780	1.750
High resolution limit [Å]	1.720	1.720
Rmerge	0.062	0.413
Number of reflections	84399
<I/σ(I)>	15.9	2.5
Completeness [%]	96.9	99.3
Redundancy	11.3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.5		Bento, I., (1998) Acta Cryst., D54, 991. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	PEG4000	40 (%)
3	1	reservoir	sodium citrate	0.1 (M)	pH5.5
4	1	reservoir	ammonium acetate	0.2 (M)