5Z5O
Structure of Pycnonodysostosis disease related I249T mutant of human cathepsin K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.984 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.100, 67.270, 82.870 |
| Unit cell angles | 90.00, 91.83, 90.00 |
Refinement procedure
| Resolution | 52.218 - 1.920 |
| R-factor | 0.1641 |
| Rwork | 0.162 |
| R-free | 0.20360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1by8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.000 | 1.990 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.795 | |
| Number of reflections | 40362 | |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 96.0 | 95.2 |
| Redundancy | 2.8 | 2.8 |
| CC(1/2) | 0.999 | 0.493 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM Na-K Phosphate 6.2, 20 % MPD, 12mM (NH4)2SO4, 10% PEG 3350 |
