2F1G
Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide
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] | 190 |
| Detector technology | CCD |
| Collection date | 2003-03-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 85.250, 85.250, 151.613 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.510 - 1.900 |
| R-factor | 0.19125 |
| Rwork | 0.189 |
| R-free | 0.23033 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.476 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.510 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.737 |
| Number of reflections | 39331 | |
| <I/σ(I)> | 14.31 | 1.75 |
| Completeness [%] | 92.4 | 85.5 |
| Redundancy | 4.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | 20% Peg-8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
