1FH0

CRYSTAL STRUCTURE OF HUMAN CATHEPSIN V COMPLEXED WITH AN IRREVERSIBLE VINYL SULFONE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-22
Detector	MARRESEARCH
Spacegroup name	P 64 2 2
Unit cell lengths	104.700, 104.700, 179.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.197 *
Rwork	0.197
R-free	0.21100
RMSD bond length	0.008
RMSD bond angle	1.180
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.038	0.424
Total number of observations	386837 *
Number of reflections	78054
<I/σ(I)>	37.3
Completeness [%]	98.1	89.9
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5 *	17 *	Lithium sulfate, PEG 4000, tris, glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	lithium sulfate	0.17 (M)
2	1	reservoir	Tris	0.085 (M)
3	1	reservoir	PEG4000	25.5 (%(w/v))
4	1	reservoir	glycerol	15 (%(v/v))
5	1	drop	protein	12 (mg/ml)
6	1	drop	sodium acetate	25 (mM)