8V57
Complex of murine cathepsin K with bound cystatin C inhibitor
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 | 2020-10-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 92.930, 179.610, 73.352 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.350 - 2.750 |
| R-factor | 0.23 |
| Rwork | 0.229 |
| R-free | 0.25790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.723 |
| 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 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmeas | 0.064 | 0.830 |
| Rpim | 0.024 | 0.305 |
| Number of reflections | 30916 | 1413 |
| <I/σ(I)> | 7.3 | 1.67 |
| Completeness [%] | 92.6 | 86.6 |
| Redundancy | 7.3 | 7.1 |
| CC(1/2) | 1.000 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 5mg/ml CtsK+Cystatin C co-purified with 12mer GlcNS6S-GlcA-GlcNS3S6S-Ido2S-GlcNS6S-Ido2S-GlcNS6S-Ido2S-GlcNS6S-Ido2S-GlcNS6S-GlcA-pNP, sodium citrate, barium chloride, ammonium sulfate, PEG-4000 |
