2YJC
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 | 2011-03-17 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.997, 57.504, 75.708 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.790 - 1.140 |
R-factor | 0.14744 |
Rwork | 0.145 |
R-free | 0.18362 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.431 |
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 | 1.240 |
High resolution limit [Å] | 1.140 | 1.140 |
Rmerge | 0.050 | 0.490 |
Number of reflections | 73833 | |
<I/σ(I)> | 13.14 | 2.32 |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 6.26 | 5.81 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1M MAGNESIUM FORMATE, 15 % PEG 3350 |