4YV8
Crystal structure of cathepsin K bound to the covalent inhibitor lichostatinal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-02-13 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.97 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 56.717, 56.717, 130.365 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.330 - 2.000 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c9e |
RMSD bond length | 0.005 |
RMSD bond angle | 0.856 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.332 | |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.074 | 0.280 |
Number of reflections | 15131 | |
<I/σ(I)> | 18.9 | 7.7 |
Completeness [%] | 99.7 | 100 |
Redundancy | 8.9 | 9.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294.15 | 24% PEG 8000, 0.2M ammonium sulfate |