8DXT
Fab arm of antibody GAR12 bound to the receptor binding domain of SARS-CoV-2.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 93.609, 41.954, 183.029 |
| Unit cell angles | 90.00, 97.08, 90.00 |
Refinement procedure
| Resolution | 48.085 - 2.250 |
| R-factor | 0.2134 |
| Rwork | 0.211 |
| R-free | 0.25360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 5i1b (Fab) and generic SARS-CoV-2 RBD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.951 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.085 | 48.080 | 2.320 |
| High resolution limit [Å] | 2.250 | 9.000 | 2.250 |
| Rmerge | 0.060 | 0.022 | 0.929 |
| Rmeas | 0.065 | 0.024 | 1.010 |
| Rpim | 0.025 | 0.010 | 0.394 |
| Total number of observations | 3514 | 20451 | |
| Number of reflections | 34125 | 585 | 3150 |
| <I/σ(I)> | 17.9 | 67.3 | 1.9 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 6.5 | 6 | 6.5 |
| CC(1/2) | 0.999 | 0.999 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | An equal volume (2 uL) of protein solution at ~5 mg/mL (in 25 mM Tris (pH 8.0), 200 mM NaCl) was combined with well solution (100 mM ammonium citrate (pH 5.5), 20% (w/v) PEG3350. |
