7N3G
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C098
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 65 2 2 |
| Unit cell lengths | 88.100, 88.100, 216.246 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.050 - 1.420 |
| R-factor | 0.1864 |
| Rwork | 0.185 |
| R-free | 0.20520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xc4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.169 |
| 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] | 76.300 | 76.300 | 1.450 |
| High resolution limit [Å] | 1.420 | 7.790 | 1.420 |
| Rmerge | 0.079 | 0.037 | 2.079 |
| Rmeas | 0.081 | 0.038 | 2.143 |
| Rpim | 0.020 | 0.009 | 0.514 |
| Total number of observations | 1535148 | 12327 | 75843 |
| Number of reflections | 93013 | 721 | 4464 |
| <I/σ(I)> | 17.4 | 51.4 | 1.6 |
| Completeness [%] | 99.6 | 100 | 99.2 |
| Redundancy | 16.5 | 17.1 | 17 |
| CC(1/2) | 0.999 | 0.999 | 0.637 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2.0 M ammonium sulfate, citric acid pH 3.5 |
