6F06
CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-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 | 2012-05-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.040, 50.791, 84.911 |
| Unit cell angles | 90.00, 91.53, 90.00 |
Refinement procedure
| Resolution | 42.480 - 2.020 |
| R-factor | 0.20489 |
| Rwork | 0.201 |
| R-free | 0.27428 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.759 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.480 | 2.070 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.127 | 0.873 |
| Number of reflections | 22641 | 1747 |
| <I/σ(I)> | 5.7 | 1.3 |
| Completeness [%] | 98.3 | 98.9 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 20% PEG3350, 0.05 M zinc acetate |
