6HGY
CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C
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 | 2017-09-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99992 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.560, 44.884, 49.990 |
Unit cell angles | 90.00, 115.91, 90.00 |
Refinement procedure
Resolution | 44.970 - 2.200 |
R-factor | 0.25627 |
Rwork | 0.250 |
R-free | 0.30996 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1atk |
RMSD bond length | 0.011 |
RMSD bond angle | 1.614 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.8.0155) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.970 | 2.420 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.114 | 0.425 |
Number of reflections | 8527 | |
<I/σ(I)> | 7.69 | |
Completeness [%] | 86.9 | 77.8 |
Redundancy | 3.8 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.05M MES pH 6.0, 0.1M Na-Oxalate, 0.1M CaCl2 |