2YJB
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 | 2011-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.365, 58.495, 64.042 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.370 - 1.400 |
| R-factor | 0.16181 |
| Rwork | 0.159 |
| R-free | 0.21779 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yj2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.363 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0112) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.100 | 0.660 |
| Number of reflections | 33489 | |
| <I/σ(I)> | 8.91 | 1.65 |
| Completeness [%] | 95.5 | 91.6 |
| Redundancy | 5.99 | 5.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M BIS-TRIS PH 6.5, 0.2 M NACL, 25% PEG 3350 |
