2XU1
CATHEPSIN L WITH A NITRILE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.360, 62.705, 68.243 |
| Unit cell angles | 105.62, 93.24, 115.45 |
Refinement procedure
| Resolution | 36.520 - 1.450 |
| R-factor | 0.23504 |
| Rwork | 0.234 |
| R-free | 0.27217 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.421 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Refinement software | REFMAC (5.6.0041) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.120 | 0.520 |
| Number of reflections | 137183 | |
| <I/σ(I)> | 5.79 | 1.46 |
| Completeness [%] | 95.4 | 93.7 |
| Redundancy | 2.28 | 2.29 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 20% PEG 2000, PH 4 |
