6EZX
CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-17-oxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide
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 | 2011-04-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.340, 43.417, 86.498 |
| Unit cell angles | 90.00, 96.14, 90.00 |
Refinement procedure
| Resolution | 46.390 - 2.340 |
| R-factor | 0.2255 |
| Rwork | 0.222 |
| R-free | 0.29685 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.318 |
| Data reduction software | XPREP |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0112) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.390 | 2.400 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.070 | 0.599 |
| Number of reflections | 15249 | 1123 |
| <I/σ(I)> | 9.5 | 1.3 |
| Completeness [%] | 85.4 | 84.7 |
| Redundancy | 3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 25% PEG3350, 0.1 M Bis-Tris |
