7RAQ
Crystal structure of CV3-25 Fab bound to SARS-CoV-2 spike stem helix peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0092 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.173, 60.173, 285.825 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.010 - 1.740 |
| R-factor | 0.182 |
| Rwork | 0.181 |
| R-free | 0.20280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mvz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.764 |
| 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] | 49.010 | 48.960 | 1.770 |
| High resolution limit [Å] | 1.740 | 9.040 | 1.740 |
| Rmerge | 0.025 | 0.016 | 0.309 |
| Rmeas | 0.035 | 0.022 | 0.437 |
| Rpim | 0.025 | 0.016 | 0.309 |
| Total number of observations | 871 | 6629 | |
| Number of reflections | 63310 | 572 | 3447 |
| <I/σ(I)> | 21.7 | 31.6 | 2.7 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 1.9 | 1.5 | 1.9 |
| CC(1/2) | 0.999 | 0.999 | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Na Acetate:HCl, pH 4.5, 2.0M (NH4)2SO4, 0.01M SrCl |
