Table 1 X-ray data collection and refinement statistics.
From: Antigenic mapping reveals sites of vulnerability on α-HCoV spike protein
C04 Fab | RBD-C04 | RBD-S11 | |
|---|---|---|---|
PDB ID | 7VMZ | 7VN9 | 7VNG |
Data collection | |||
Space group | P 62 | P 6222 | C 222 |
Cell dimensions | |||
a, b, c (Å) | 148.2, 148.2, 53.4 | 183.7, 183.7, 255.9 | 113.6, 174.7, 97.4 |
α, β, γ (°) | 90°, 90°, 120° | 90°, 90°, 120° | 90°, 90°, 90° |
Resolution range (Å)* | 50.0–2.9 (3.0–2.9) | 50.0–4.6 (4.8–4.6) | 49.1–3.8 (4.3–3.8) |
No. of observed reflections | 297,153 | 254,462 | 122,460 |
No. of unique reflections | 15,842 | 14,882 | 9,887 |
Completeness (%)* | 99.9 (100) | 100 (100) | 100 (100) |
Redundancy* | 18.7 (13.2) | 17.1 (11.7) | 12.4 (12.8) |
Rmeas (%)* | 28.9 (>100) | 37.2 (>100) | 20.0 (>100) |
Rpim (%) * | 6.5 (32.3) | 8.9 (47.3) | 5.7 (47.5) |
<I/σ(I)>* | 16.4 (2.3) | 6.5 (1.2) | 7.8 (1.8) |
CC1/2(%)*,a | 97.6 (87.0) | 99.6 (60.6) | 99.8 (87.3) |
Wilson B (Å2) | 65.9 | 173.4 | 147.1 |
Refinement | |||
Resolution (Å)* | 35.6–2.9 (3.0–2.9) | 36.9–4.6 (4.8–4.6) | 49.1–3.8 (3.9–3.8) |
Reflections used in refinement* | 15,820 (1,568) | 14,756 (1,417) | 9,857 (967) |
Reflections used for Rfree* | 890 (75) | 748 (78) | 984 (97) |
Rwork (%)* | 22.3 (28.9) | 27.1 (32.3) | 27.3 (31.2) |
Rfree (%)* | 26.4 (36.3) | 31.3 (37.7) | 29.8 (35.9) |
No. atoms | 3,272 | 8,509 | 3,957 |
Protein | 3,272 | 8,389 | 3,929 |
Glycans | 0 | 120 | 28 |
B-factors (Å2) | 67.5 | 193.1 | 181.3 |
Protein | 67.5 | 193.1 | 181.2 |
Glycans | 0 | 196.4 | 188.2 |
R.m.s. deviations | |||
Bond length (Å) | 0.004 | 0.006 | 0.003 |
Bond angle (°) | 0.7 | 1.1 | 0.7 |
