2XU5
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 | 2010-09-14 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.943, 59.107, 89.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.900 - 1.600 |
| R-factor | 0.21976 |
| Rwork | 0.217 |
| R-free | 0.27583 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.352 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.620 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.060 | 0.740 |
| Number of reflections | 31085 | |
| <I/σ(I)> | 12.07 | 1.42 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.45 | 6.27 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.5 | 0.1 M CITRIC ACID PH 3.5, 25 % PEG 3350 |
