7N3H
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C099
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 | 44.100, 92.580, 115.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.950 - 1.260 |
| R-factor | 0.1812 |
| Rwork | 0.180 |
| R-free | 0.20170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xc4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.070 |
| 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] | 57.580 | 57.580 | 1.280 |
| High resolution limit [Å] | 1.260 | 6.900 | 1.260 |
| Rmerge | 0.096 | 0.050 | 1.888 |
| Rmeas | 0.105 | 0.054 | 2.087 |
| Rpim | 0.043 | 0.021 | 0.872 |
| Total number of observations | 653930 | 5791 | 33921 |
| Number of reflections | 116022 | 915 | 6148 |
| <I/σ(I)> | 8.3 | 24.1 | 0.9 |
| Completeness [%] | 90.9 | 99.7 | 98.6 |
| Redundancy | 5.6 | 6.3 | 5.5 |
| CC(1/2) | 0.997 | 0.993 | 0.444 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 1.9 M ammonium sulfate, citric acid pH 3.8 |
