9LFP
Complex structure of THC-2030 Fab and S309 bound to SARS-CoV-2 WT RBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 322.531, 74.334, 147.713 |
| Unit cell angles | 90.00, 94.61, 90.00 |
Refinement procedure
| Resolution | 49.100 - 3.140 |
| R-factor | 0.2302 |
| Rwork | 0.229 |
| R-free | 0.26580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.346 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 160.740 | 3.310 |
| High resolution limit [Å] | 3.140 | 3.140 |
| Number of reflections | 117057 | 8923 |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.918 | 0.362 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.5 | 1.0 M imidazole pH 7.0 |
