5W8T
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) | 1.2837 |
Spacegroup name | P 43 |
Unit cell lengths | 86.342, 86.342, 223.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.232 - 2.758 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.22370 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 0.778 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.810 |
High resolution limit [Å] | 2.758 | 2.758 |
Number of reflections | 41920 | |
<I/σ(I)> | 24.1 | 1.5 |
Completeness [%] | 99.7 | |
Redundancy | 8.5 | |
CC(1/2) | 0.999 | 0.838 |
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 |