7RNJ
S2P6 Fab fragment bound to the SARS-CoV/SARS-CoV-2 spike stem helix peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 92.642, 92.642, 223.408 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.840 - 2.670 |
| R-factor | 0.2368 |
| Rwork | 0.235 |
| R-free | 0.27360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Homology model of S2P6 Fab |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.527 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.320 | 46.320 | 2.800 |
| High resolution limit [Å] | 2.670 | 8.860 | 2.670 |
| Rmerge | 0.203 | 0.034 | 3.714 |
| Rmeas | 0.217 | 0.037 | 3.952 |
| Rpim | 0.075 | 0.014 | 1.336 |
| Total number of observations | 133307 | 3494 | 18143 |
| Number of reflections | 16691 | 541 | 2157 |
| <I/σ(I)> | 8.9 | 41.6 | 0.6 |
| Completeness [%] | 99.0 | 96.1 | 99.7 |
| Redundancy | 8 | 6.5 | 8.4 |
| CC(1/2) | 0.997 | 0.998 | 0.267 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M Ammonium sulfate, 0.1 M Sodium acetate pH 4.6, 25% (v/v) PEG Smear Broad |
