7KZB
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 | 2020-09-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.183, 147.674, 157.199 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.380 - 2.830 |
| R-factor | 0.2558 |
| Rwork | 0.251 |
| R-free | 0.33560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6w41 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.733 |
| 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] | 49.380 | 49.380 | 2.980 |
| High resolution limit [Å] | 2.830 | 8.950 | 2.830 |
| Rmerge | 0.144 | 0.051 | 1.293 |
| Rmeas | 0.150 | 0.054 | 1.342 |
| Rpim | 0.041 | 0.016 | 0.357 |
| Total number of observations | 387606 | 12026 | 55659 |
| Number of reflections | 28690 | 1041 | 4029 |
| <I/σ(I)> | 12.4 | 39.1 | 2.1 |
| Completeness [%] | 99.7 | 99.6 | 98.2 |
| Redundancy | 13.5 | 11.6 | 13.8 |
| CC(1/2) | 0.998 | 0.997 | 0.873 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200 mM NaCl, 100 mM Tris (pH 8.0), 20% (w/v) PEG3350 |
