2YJ8
CATHEPSIN L WITH A NITRILE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.975, 57.265, 76.218 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.780 - 1.300 |
| R-factor | 0.14264 |
| Rwork | 0.141 |
| R-free | 0.18159 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.414 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.6.0112) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.390 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.080 | 0.780 |
| Number of reflections | 50228 | |
| <I/σ(I)> | 9.57 | 1.46 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 6.59 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1 M BIS-TRIS PH 5.5, 0.2M SODIUM ACETATE, 25 % PEG 3350 |
