Table 1.
Crystallographic data collection and refinement statistics.
| Data collection | |
| Beamline | SSRL 12-1 |
| Wavelength (Å) | 0.97934 |
| Space group | P 43 21 2 |
| Unit cell parameters | |
| a, b, c (Å) | 85.0, 85.0, 215.0 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution (Å)a | 50.0–2.59 (2.64–2.59) |
| Unique reflectionsa | 25,315 (1,241) |
| Redundancya | 6.7 (5.8) |
| Completeness (%)a | 99.2 (98.9) |
| <I/σI>a | 7.6 (1.1) |
| Rsymb (%)a | 23.7 (>100) |
| Rpimb (%)a | 9.7 (68.4) |
| CC1/2c (%)a | 97.9 (45.9) |
| Refinement statistics | |
| Resolution (Å) | 45.4–2.59 |
| Reflections (work) | 23,894 |
| Reflections (test) | 1,170 |
| Rcrystd/Rfreee (%) | 22.1/26.7 |
| No. of atoms | 4,948 |
| Macromolecules | 4,838 |
| Glycans | 38 |
| Solvent | 72 |
| Average B-value (Å2) | 42 |
| Macromolecules | 42 |
| Fab | 41 |
| RBD | 45 |
| Glycans | 77 |
| Solvent | 40 |
| Wilson B-value (Å2) | 47 |
| RMSD from ideal geometry | |
| Bond length (Å) | 0.002 |
| Bond angle (o) | 0.50 |
| Ramachandran statistics (%)f | |
| Favored | 96.5 |
| Outliers | 0.0 |
| PDB code | 7T7B |
aNumbers in parentheses refer to the highest resolution shell.
bRsym = Σhkl Σi | Ihkl,i − <Ihkl> | / Σhkl Σi Ihkl,i and Rpim = Σhkl (1/(n-1))1/2 Σi | Ihkl,i − <Ihkl> | / Σhkl Σi Ihkl,i, where Ihkl,i is the scaled intensity of the ith measurement of reflection h, k, l, <Ihkl> is the average intensity for that reflection, and n is the redundancy.
cCC1/2 = Pearson correlation coefficient between two random half datasets.
dRcryst = Σhkl | Fo − Fc | / Σhkl | Fo | x 100, where Fo and Fc are the observed and calculated structure factors, respectively.
eRfree was calculated as for Rcryst, but on a test set comprising 5% of the data excluded from refinement.
fFrom MolProbity76.