2YJ9
CATHEPSIN L WITH A NITRILE INHIBITOR
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 | 2011-02-05 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.992, 57.153, 76.589 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.430 - 1.350 |
R-factor | 0.15285 |
Rwork | 0.150 |
R-free | 0.20091 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.291 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.6.0112) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.440 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.080 | 0.720 |
Number of reflections | 43529 | |
<I/σ(I)> | 12.36 | 1.5 |
Completeness [%] | 96.3 | 93.5 |
Redundancy | 6.44 | 6.16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1 M BIS-TRIS 6.5, 20% PEG MME 5000 |