7N3I
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with the 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 | 2021-02-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 191.332, 87.842, 56.810 |
| Unit cell angles | 90.00, 99.79, 90.00 |
Refinement procedure
| Resolution | 44.320 - 2.030 |
| R-factor | 0.1805 |
| Rwork | 0.179 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7bz5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.090 |
| 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] | 94.270 | 94.270 | 2.080 |
| High resolution limit [Å] | 2.030 | 9.080 | 2.030 |
| Rmerge | 0.097 | 0.039 | 0.866 |
| Rmeas | 0.117 | 0.048 | 1.049 |
| Rpim | 0.065 | 0.027 | 0.583 |
| Total number of observations | 173101 | 2098 | 12831 |
| Number of reflections | 57277 | 670 | 4233 |
| <I/σ(I)> | 6.8 | 17.3 | 1.3 |
| Completeness [%] | 96.0 | 95 | 97.3 |
| Redundancy | 3 | 3.1 | 3 |
| CC(1/2) | 0.994 | 0.991 | 0.569 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.05 M citric acid, 0.05M BIS-TRIS propane pH 5.0, 14% PEG 3350 |
