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 |