2HH5
Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 109.542, 109.542, 98.529 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.200 - 1.800 |
| R-factor | 0.17567 |
| Rwork | 0.173 |
| R-free | 0.22015 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f1g |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.511 |
| Data reduction software | PROCESS |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.200 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.064 | 0.763 |
| Number of reflections | 38549 | |
| <I/σ(I)> | 17.7 | 1.3 |
| Completeness [%] | 99.3 | 98.2 |
| Redundancy | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.2M ZnAcetate, 20% PEG-3350, 150mM Sodium Chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
