5F02
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-carboxylic acid (1-cyano-cyclopropyl)-amide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-03-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.937, 57.492, 75.691 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.780 - 1.430 |
| R-factor | 0.14569 |
| Rwork | 0.143 |
| R-free | 0.19057 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.257 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0112) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.780 | 1.530 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.694 | |
| Number of reflections | 34024 | |
| <I/σ(I)> | 12.68 | 1.49 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.45 | 6.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M MAGNESIUM FORMATE, 15 % PEG 3350 |
