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 |