5QCC
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 | 37.176, 58.021, 58.829 |
Unit cell angles | 102.53, 107.22, 106.23 |
Refinement procedure
Resolution | 33.010 - 1.800 |
R-factor | 0.145 |
Rwork | 0.144 |
R-free | 0.16900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.847 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 33.009 |
High resolution limit [Å] | 1.797 |
Number of reflections | 37353 |
Completeness [%] | 94.0 |
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 |