9AX9
Crystal Structure of Enterovirus 68 3C Protease C147A Mutant with 3B3C peptide at 2.00 Angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.784, 103.343, 43.213 |
| Unit cell angles | 90.00, 110.80, 90.00 |
Refinement procedure
| Resolution | 30.190 - 2.000 |
| R-factor | 0.1833 |
| Rwork | 0.181 |
| R-free | 0.22820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.482 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.830 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.029 | 0.163 |
| Rmeas | 0.041 | 0.231 |
| Rpim | 0.029 | 0.163 |
| Number of reflections | 21924 | 2200 |
| <I/σ(I)> | 15 | 4.3 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.998 | 0.942 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.1M BisTris Propane 0.2M Potassium Thiocyanate PEG3350 12-30% |
