5QBV

Crystal structure of human Cathepsin-S with bound ligand

Replaces:  3MPF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-12
Spacegroup name	C 1 2 1
Unit cell lengths	172.391, 34.311, 104.021
Unit cell angles	90.00, 125.27, 90.00

Refinement procedure

Resolution	43.281 - 1.796
R-factor	0.1482
Rwork	0.147
R-free	0.17230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.836
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.059	0.175
Number of reflections	46805
<I/σ(I)>	8.8
Completeness [%]	99.5	95.5
Redundancy	3.6	3.2

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