2XU5
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 | 2010-09-14 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.943, 59.107, 89.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.900 - 1.600 |
R-factor | 0.21976 |
Rwork | 0.217 |
R-free | 0.27583 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN HOUSE STRUCTURE |
RMSD bond length | 0.012 |
RMSD bond angle | 1.352 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.620 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.060 | 0.740 |
Number of reflections | 31085 | |
<I/σ(I)> | 12.07 | 1.42 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.45 | 6.27 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.5 | 0.1 M CITRIC ACID PH 3.5, 25 % PEG 3350 |