8FL5
Crystal Structure of Enterovirus 68 3C Protease inactive mutant C147A at 1.8 Angstroms.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2022-12-14 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.166, 102.109, 41.946 |
| Unit cell angles | 90.00, 109.88, 90.00 |
Refinement procedure
| Resolution | 23.740 - 1.800 |
| R-factor | 0.1796 |
| Rwork | 0.176 |
| R-free | 0.23910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.150 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | phenix.refine (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.740 | 1.864 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.067 | 0.586 |
| Rmeas | 0.076 | 0.713 |
| Rpim | 0.035 | 0.401 |
| Number of reflections | 28677 | 2867 |
| <I/σ(I)> | 14.19 | 1.56 |
| Completeness [%] | 99.9 | 99.72 |
| Redundancy | 4.1 | |
| CC(1/2) | 0.998 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.1 M BIS-TRIS propane, pH 6.5 0.1-0.2 M Sodium Thiocyanate 10-30% PEG 3350 |
