1DEU

CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN X: A CYSTEINE PROTEASE WITH THE PROREGION COVALENTLY LINKED TO THE ACTIVE SITE CYSTEINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-02-07
Detector	ADSC QUANTUM
Spacegroup name	P 32 2 1
Unit cell lengths	84.820, 84.820, 169.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.000 - 1.700
Rwork	0.204
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Cathepsin B (PDB code 1HUC) Reference: Musil et al EMBO.J 1991 10 2321-2330
RMSD bond length	0.034
RMSD bond angle	24.200 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.780
High resolution limit [Å]	1.700	1.700
Rmerge	0.048	0.208
Total number of observations	521645 *
Number of reflections	82047
<I/σ(I)>	19.5
Completeness [%]	95.4	90.7
Redundancy	3.5	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	18 *	300 mM (NH4)2SO4, 12% PEG4000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10.7 (mg/ml)
2	1	reservoir	ammonium sulfate	300 (mM)
3	1	reservoir	PEG4000	12 (%)