7K3Q
An ultra-potent human neutralizing antibody locks the SARS-CoV-2 spike in the closed conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.014, 85.722, 86.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.380 |
| R-factor | 0.2002 |
| Rwork | 0.199 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | homology model |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.226 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.150 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.059 | 2.115 |
| Rmeas | 0.064 | 2.295 |
| Rpim | 0.024 | 0.881 |
| Number of reflections | 89367 | 3868 |
| <I/σ(I)> | 19.1 | 1.2 |
| Completeness [%] | 99.3 | 87.8 |
| Redundancy | 13.1 | |
| CC(1/2) | 0.999 | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Magnesium chloride hexahydrate, 0.1 M TRIS pH 8.5, 30% (w/v) PEG 4000 Condition A1 of Molecular Dimensions SG1 HT-96 Eco Screen |
