7KZA
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 43 21 2 |
| Unit cell lengths | 70.749, 70.749, 249.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.050 - 1.690 |
| R-factor | 0.1673 |
| Rwork | 0.166 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6w41 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.759 |
| 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] | 49.050 | 49.050 | 1.720 |
| High resolution limit [Å] | 1.690 | 9.080 | 1.690 |
| Rmerge | 0.075 | 0.039 | 1.511 |
| Rmeas | 0.076 | 0.040 | 1.541 |
| Rpim | 0.015 | 0.008 | 0.298 |
| Total number of observations | 12219 | 91422 | |
| Number of reflections | 72750 | 595 | 3530 |
| <I/σ(I)> | 26.4 | 76.4 | 2.6 |
| Completeness [%] | 99.9 | 99.5 | 97.7 |
| Redundancy | 26.6 | 20.5 | 25.9 |
| CC(1/2) | 1.000 | 1.000 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.65 | 293 | Protein (9.6 mg/mL) was mixed with an equal volume (2 uL) of well solution comprising 200 mM sodium citrate (pH 6.65) and 24% (w/v) PEG3350. Cryoprotection was achieved by briefly (5-10 sec) swimming crystals in well solution doped with glycerol to a final concentration of ~25% (v/v), prior to snap freezing. |
