3KFQ

Unreduced cathepsin V in complex with stefin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	59.313, 107.290, 115.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.490 - 1.990
R-factor	0.178
Rwork	0.176
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h6s 1nb3
RMSD bond length	0.018
RMSD bond angle	1.578
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	2.030
High resolution limit [Å]	1.990	2.000
Rmerge	0.079	0.430
Number of reflections	51049
<I/σ(I)>	8
Completeness [%]	99.5	91.5
Redundancy	8.2	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M Tris-HCl, 12% PEG3000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K