5QC1

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	C 1 2 1
Unit cell lengths	112.709, 37.032, 106.236
Unit cell angles	90.00, 108.12, 90.00

Refinement procedure

Resolution	33.656 - 2.082
R-factor	0.2027
Rwork	0.199
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.929
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall
Low resolution limit [Å]	33.656
High resolution limit [Å]	2.082
Number of reflections	24623
Completeness [%]	96.6

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