7MSQ
Complex between the Fab arm of AB-3467 and the SARS-CoV-2 receptor binding domain (RBD)
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 | 2021-04-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 109.764, 115.494, 240.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.000 - 2.290 |
| R-factor | 0.1966 |
| Rwork | 0.194 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kzb (RBD) and 7czx |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.722 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.150 | 48.150 | 2.350 |
| High resolution limit [Å] | 2.290 | 10.760 | 2.290 |
| Rmerge | 0.075 | 0.035 | 0.747 |
| Rmeas | 0.078 | 0.036 | 0.776 |
| Rpim | 0.021 | 0.010 | 0.208 |
| Total number of observations | 938116 | 9011 | 59880 |
| Number of reflections | 68595 | 754 | 4460 |
| <I/σ(I)> | 22.5 | 56.4 | 4 |
| Completeness [%] | 99.8 | 98.8 | 97.5 |
| Redundancy | 13.7 | 12 | 13.4 |
| CC(1/2) | 0.999 | 0.999 | 0.882 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | Protein complex (5 mg/mL in 25 mM Tris (pH 8.0), 200 mM NaCl) was mixed with an equal volume (2 uL) of well solution comprising 100 mM BisTrisPropane (pH 6.9), 800 mM KSCN, 10% (v/v) glycerol, and 18%(m/v) PEG8000 |
