7KZC
Potent SARS-CoV-2 binding and neutralization through maturation of iconic SARS-CoV-1antibodies
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 41 |
| Unit cell lengths | 68.311, 68.311, 188.025 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.300 - 2.300 |
| R-factor | 0.2143 |
| Rwork | 0.212 |
| R-free | 0.25730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wl2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.661 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.300 | 48.300 | 2.380 |
| High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
| Rmerge | 0.211 | 0.079 | 1.451 |
| Rmeas | 0.219 | 0.082 | 1.505 |
| Rpim | 0.058 | 0.022 | 0.396 |
| Total number of observations | 9243 | 51257 | |
| Number of reflections | 38056 | 687 | 3636 |
| <I/σ(I)> | 9.9 | 27.5 | 2 |
| Completeness [%] | 99.8 | 99.6 | 97.7 |
| Redundancy | 14.2 | 13.5 | 14.1 |
| CC(1/2) | 0.995 | 0.993 | 0.692 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.95 | 293 | Protein was combined with equal volume of well solution comprising 200 mM NaCl, 100 mM BisTris (pH 5.95) and 25% (w/v) PEG3350 |
