6BI8
X-ray structure of MERS coronavirus papain-like protease in complex with human ISG15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-10 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.978 |
| Spacegroup name | H 3 |
| Unit cell lengths | 148.035, 148.035, 134.189 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.734 - 2.291 |
| R-factor | 0.1735 |
| Rwork | 0.172 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rf1 1z2m |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.065 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX (1.9_1692) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 2.340 |
| High resolution limit [Å] | 2.291 | 6.240 | 2.291 |
| Rmerge | 0.100 | 0.045 | 0.560 |
| Rmeas | 0.116 | 0.051 | 0.657 |
| Rpim | 0.058 | 0.024 | 0.337 |
| Total number of observations | 185967 | ||
| Number of reflections | 48452 | 2433 | 2392 |
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 98.6 | 99.1 | 99 |
| Redundancy | 3.8 | 4.4 | 3.6 |
| CC(1/2) | 0.997 | 0.732 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293.15 | 0.25 M Potassium Citrate, pH 8.3 20% PEG3350 |
