7Q0I
Crystal structure of the N-terminal domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-43
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-29 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 117.830, 66.964, 143.238 |
Unit cell angles | 90.00, 92.54, 90.00 |
Refinement procedure
Resolution | 143.100 - 2.390 |
R-factor | 0.2039 |
Rwork | 0.202 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7b62 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.594 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 143.100 | 2.582 |
High resolution limit [Å] | 2.386 | 2.386 |
Rmerge | 0.144 | |
Rpim | 0.059 | |
Number of reflections | 74244 | 3039 |
<I/σ(I)> | 9.8 | 1.4 |
Completeness [%] | 93.6 | |
Redundancy | 6.9 | |
CC(1/2) | 0.997 | 0.478 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Sodium HEPES, 25 % w/v PEG 2000 MME |