5QBX

Crystal structure of human Cathepsin-S with bound ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-10
Detector	RIGAKU SATURN 944
Spacegroup name	P 1
Unit cell lengths	34.502, 59.579, 56.590
Unit cell angles	100.32, 95.76, 101.20

Refinement procedure

Resolution	28.610 - 2.100
R-factor	0.19
Rwork	0.188
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.326
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	28.610
High resolution limit [Å]	2.100
Number of reflections	21171
Completeness [%]	88.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	100MM SODIUM ACETATE PH 4.5, 200MM AMMONIUM ACETATE, 25% PEG 8000. PROTEIN CONCENTRATION 7 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K