8V58
Complex of murine cathepsin K with bound heparan sulfate 12mer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 111.892, 111.892, 116.653 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.870 - 3.100 |
R-factor | 0.2386 |
Rwork | 0.236 |
R-free | 0.29260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.298 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.150 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmeas | 0.099 | 1.030 |
Rpim | 0.036 | 0.361 |
Number of reflections | 13901 | 675 |
<I/σ(I)> | 5.4 | 1.7 |
Completeness [%] | 98.8 | |
Redundancy | 7.4 | |
CC(1/2) | 0.980 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1M sodium acetate, 0.2M lithium sulfate, 31.5% PEG 8K |