8ENX
Crystal structure of beta'-COPI-WD40 domain Y33A mutant in complex with SARS-CoV-2 clientized spike tail heptapeptide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-17 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92 |
Spacegroup name | P 1 |
Unit cell lengths | 42.746, 46.241, 84.520 |
Unit cell angles | 81.07, 81.70, 69.50 |
Refinement procedure
Resolution | 28.330 - 1.800 |
R-factor | 0.1513 |
Rwork | 0.149 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j79 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.759 |
Data reduction software | HKL-3000 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.330 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 53029 | 2959 |
<I/σ(I)> | 3.7 | 1 |
Completeness [%] | 96.6 | |
Redundancy | 2.4 | |
CC(1/2) | 0.989 | 0.551 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295.15 | 0.1M MES pH 6.2, 17% PEG20000 |