7N3E
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C032
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 | 133.850, 61.690, 69.230 |
| Unit cell angles | 90.00, 97.33, 90.00 |
Refinement procedure
| Resolution | 44.940 - 2.060 |
| R-factor | 0.2013 |
| Rwork | 0.200 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6meg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.072 |
| 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] | 68.660 | 68.660 | 2.120 |
| High resolution limit [Å] | 2.060 | 8.980 | 2.060 |
| Rmerge | 0.077 | 0.044 | 1.000 |
| Rmeas | 0.094 | 0.055 | 1.223 |
| Rpim | 0.053 | 0.033 | 0.693 |
| Total number of observations | 94305 | 1269 | 7349 |
| Number of reflections | 32883 | 427 | 2573 |
| <I/σ(I)> | 5.9 | 16.4 | 1.1 |
| Completeness [%] | 94.8 | 94.4 | 96.1 |
| Redundancy | 2.9 | 3 | 2.9 |
| CC(1/2) | 0.988 | 0.937 | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M HEPES pH 7.7, 58% 2-Methyl-2,4-pentanediol |
