5QCD
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 | 76.952, 73.329, 44.594 |
Unit cell angles | 90.00, 103.97, 90.00 |
Refinement procedure
Resolution | 32.400 - 1.950 |
R-factor | 0.154 |
Rwork | 0.151 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.807 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 32.401 |
High resolution limit [Å] | 1.951 |
Number of reflections | 17374 |
Completeness [%] | 98.9 |
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 |