5QCI

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	78.505, 73.542, 44.655
Unit cell angles	90.00, 103.86, 90.00

Refinement procedure

Resolution	28.043 - 2.179
R-factor	0.1592
Rwork	0.158
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.802
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	28.043
High resolution limit [Å]	2.179
Number of reflections	12917
Completeness [%]	99.7

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