7N3F
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C080
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.600, 67.380, 130.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.610 - 1.900 |
| R-factor | 0.1873 |
| Rwork | 0.186 |
| R-free | 0.22070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6meg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.117 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.380 | 67.380 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.169 | 0.044 | 2.162 |
| Rmeas | 0.188 | 0.049 | 2.424 |
| Rpim | 0.082 | 0.021 | 1.071 |
| Total number of observations | 209056 | 2343 | 13408 |
| Number of reflections | 41276 | 465 | 2629 |
| <I/σ(I)> | 7.9 | 17.4 | 1.9 |
| Completeness [%] | 99.4 | 99.7 | 99.6 |
| Redundancy | 5.1 | 5 | 5.1 |
| CC(1/2) | 0.992 | 0.998 | 0.326 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 10% 2-Propanol, 0.1 M BICINE pH 8.5, 30% PEG 1500 |
