2XU3
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 | 2010-07-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.441, 49.394, 46.129 |
| Unit cell angles | 90.00, 105.13, 90.00 |
Refinement procedure
| Resolution | 44.530 - 0.900 |
| R-factor | 0.14248 |
| Rwork | 0.142 |
| R-free | 0.15473 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hwn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.556 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.000 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.080 | 0.640 |
| Number of reflections | 139614 | |
| <I/σ(I)> | 8.11 | 1.25 |
| Completeness [%] | 98.1 | 96.5 |
| Redundancy | 3.32 | 3.19 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 0.1 M CITRIC ACID PH 3.5 25 % PEG 3350 |
