6X45
SARS-CoV2 spike glycoprotein N-terminal heptad repeat domain + SARS-CoV2(QEYKKEKE)
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 | 2020-05-06 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.920087 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 53.543, 54.458, 80.119 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.040 - 2.200 |
R-factor | 0.2463 |
Rwork | 0.243 |
R-free | 0.27840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6lxt |
RMSD bond length | 0.002 |
RMSD bond angle | 0.365 |
Data reduction software | XDS |
Data scaling software | autoPROC (1.0.5) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.120 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmeas | 0.096 | 1.705 |
Rpim | 0.038 | 0.666 |
Number of reflections | 12351 | 1047 |
<I/σ(I)> | 9 | 1.2 |
Completeness [%] | 99.5 | 99.2 |
Redundancy | 6.5 | 6.3 |
CC(1/2) | 0.999 | 0.475 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | Peptide solution: Lyophilized TFA salt dissolved in 1% w/v beta-D-octylglucoside; HRN (4 mg/mL), HRC-QEYKKEKE (3 mg/mL) Well solution: 0.1 M Tris pH 7.8, 26% w/v PEG3350, 0.3 M MgCl2 Drop: 1 uL peptide solution, 1 uL well solution Reservoir: 150 uL in VDXm plate |