2YJ2
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 | 45.883, 57.147, 75.599 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.590 - 1.150 |
R-factor | 0.14705 |
Rwork | 0.145 |
R-free | 0.17855 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xu4 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.360 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.220 |
High resolution limit [Å] | 1.120 | 1.120 |
Rmerge | 0.060 | 0.620 |
Number of reflections | 74119 | |
<I/σ(I)> | 11 | 1.71 |
Completeness [%] | 96.1 | 87.8 |
Redundancy | 6.05 | 4.82 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1M BIS-TRIS PH 6.5, 25 % PEG 3350 |