2XU4
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 | 2010-08-02 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 65 |
| Unit cell lengths | 85.362, 85.362, 50.212 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.680 - 1.120 |
| R-factor | 0.14171 |
| Rwork | 0.140 |
| R-free | 0.16725 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.452 |
| 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 | 1.190 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.070 | 0.770 |
| Number of reflections | 84484 | |
| <I/σ(I)> | 12.1 | 1.04 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.14 | 10.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.5 | 0.1 M CITRIC ACID PH 3.5, 25 % PEG 3350 |
