5QC5

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	113.030, 37.000, 105.170
Unit cell angles	90.00, 107.94, 90.00

Refinement procedure

Resolution	28.230 - 2.400
R-factor	0.183
Rwork	0.180
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.111
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	28.233
High resolution limit [Å]	2.400
Number of reflections	16512
Completeness [%]	99.4

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