5JH3
Human cathepsin K mutant C25S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 56.850, 56.850, 130.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.804 - 1.750 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4LEG |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.613 |
| Data reduction software | XDS (10.15.2015) |
| Data scaling software | XSCALE (10.15.2015) |
| Phasing software | PHASER (2.1) |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.360 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.059 | 0.774 |
| Number of reflections | 22201 | |
| <I/σ(I)> | 29 | 3.6 |
| Completeness [%] | 99.4 | 98.7 |
| Redundancy | 12.4 | 12.2 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.2 M ammonium sulfate, 30% (w/v) PEG-8000 |
