9XA5
Structure of the Omicron BA.4/5 Spike N-terminal domain(NTD) in complex with the AC8 Fab
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 | 2024-07-21 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97925 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.477, 287.076, 119.174 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.260 - 3.320 |
| R-factor | 0.2279 |
| Rwork | 0.226 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.726 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.610 | 3.440 |
| High resolution limit [Å] | 3.320 | 3.320 |
| Number of reflections | 21005 | 1760 |
| <I/σ(I)> | 21.9 | |
| Completeness [%] | 98.0 | |
| Redundancy | 13.3 | |
| CC(1/2) | 0.987 | 0.946 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M Ammonium citrate dibasic 20 % w/v PEG 3350 |
