7M53
B6 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 | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-02-07 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.977410 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.183, 60.360, 79.699 |
| Unit cell angles | 90.00, 93.63, 90.00 |
Refinement procedure
| Resolution | 46.500 - 1.400 |
| R-factor | 0.146 |
| Rwork | 0.144 |
| R-free | 0.17390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nb8 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.361 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.500 | 46.500 | 1.290 |
| High resolution limit [Å] | 1.270 | 6.960 | 1.270 |
| Rmerge | 0.033 | 0.012 | 1.427 |
| Rmeas | 0.039 | 0.014 | 1.980 |
| Rpim | 0.021 | 0.007 | 1.369 |
| Total number of observations | 329229 | 2401 | 4677 |
| Number of reflections | 107997 | 751 | 3220 |
| <I/σ(I)> | 10.1 | 40.8 | 0.3 |
| Completeness [%] | 93.1 | 99.4 | 56.4 |
| Redundancy | 3 | 3.2 | 1.5 |
| CC(1/2) | 1.000 | 1.000 | 0.327 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Potassium Chloride and 20% (w/v) PEG3350 |
