5MAE
CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-car boxylic acid (1-cyano-cyclopropyl)-amide
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 | 2015-12-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.529, 56.640, 73.916 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.000 |
| R-factor | 0.14894 |
| Rwork | 0.147 |
| R-free | 0.18213 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | In-house model |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.467 |
| Data reduction software | XPREP |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.090 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.531 | |
| Number of reflections | 103362 | |
| <I/σ(I)> | 11.23 | 2.06 |
| Completeness [%] | 99.6 | 98.6 |
| Redundancy | 6.12 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 25% PEG3350, 0.1M Bis-Tris |
