5QCG

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	53.789, 53.645, 53.905
Unit cell angles	106.95, 110.21, 93.54

Refinement procedure

Resolution	29.270 - 2.700
R-factor	0.191
Rwork	0.187
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.977
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	29.270
High resolution limit [Å]	2.695
Number of reflections	14136
Completeness [%]	96.4

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