5W8U
Crystal structure of MERS-CoV papain-like protease in complex with the C-terminal domain of human ISG15
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 | CCD |
| Collection date | 2017-06-01 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 |
| Unit cell lengths | 86.370, 86.370, 224.087 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.626 - 2.411 |
| R-factor | 0.2137 |
| Rwork | 0.212 |
| R-free | 0.23670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.615 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.450 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Number of reflections | 62651 | |
| <I/σ(I)> | 31.6 | 1.49 |
| Completeness [%] | 99.5 | |
| Redundancy | 4.9 | |
| CC(1/2) | 0.998 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200 mM CaCl2, 100 mM NaO2C2H3 pH 4.6, 28% (v/v) MPD |
