2HHN
Cathepsin S in complex with 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 | 2003-08-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 85.532, 85.532, 150.403 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.200 - 1.550 |
| R-factor | 0.15669 |
| Rwork | 0.155 |
| R-free | 0.17994 |
| Structure solution method | RIGID BODY REFINEMENT |
| Starting model (for MR) | 2f1g |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.422 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.200 | 1.620 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.058 | 0.509 |
| Number of reflections | 73915 | |
| <I/σ(I)> | 21.5 | 2.33 |
| Completeness [%] | 96.2 | 86.3 |
| Redundancy | 3.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | 20% PEG-8000, 0.4M Lithium Sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
