3OF8
Structural Basis for Reversible and Irreversible Inhibition of Human Cathepsin L by their Respective Dipeptidyl Glyoxal and Diazomethylketone Inhibitors
Experimental procedure
| 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 |
| Spacegroup name | P 65 |
| Unit cell lengths | 85.318, 85.318, 50.018 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.659 - 2.200 |
| R-factor | 0.1966 |
| Rwork | 0.194 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cs8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.206 |
| 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] | 2.200 |
| Completeness [%] | 86.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 298 | 20 mM Sodium acetate pH 5.1, 100 mM NaCl, and 1mM EDTA, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
