3OF9
Structural Basis for Irreversible Inhibition of Human Cathepsin L by a Diazomethylketone Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 85.557, 85.557, 50.201 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.809 - 1.761 |
R-factor | 0.2268 |
Rwork | 0.224 |
R-free | 0.24940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cs8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.118 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.6_289) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.700 |
Completeness [%] | 95.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | 30%( w/v) PEG 8K and 200mM Ammonium sulfate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |