Table 1.
Collection statistics of MAD data obtained for a SeMet-labeled CavV 3CLpro (5LAC) protein crystal.
| Data collection | Peak | Inflection point | High energy remote (for phasing) |
|---|---|---|---|
| Wavelength (Å) | 0.97971 | 0.97990 | 0.91841 |
| Space group | P2(1)2(1)2 | ||
| Unit-cell parameters (Å) | a = 94.1, b = 111.3, c = 58.2 | ||
| Resolution range (Å)a | 50.0–2.00 (2.12-2-00) | 50.0–2.07 (2.19–2.07) | 50.0–1.89 (2.00–1.89) |
| No. of unique reflections | 78454 (12573) | 71073 (11493) | 93137 (15373) |
| Multiplicitya | 2.4 (2.3) | 2.4 (2.3) | 2.6 (2.5) |
| R sym (%)a,b | 5.3 (27.5) | 5.7 (30.0) | 5.9 (45.2) |
| CC (1/2) (%) | 99.7 (86.2) | 99.7 (83.1) | 99.8 (74.9) |
| Completeness (%)a | 98.1 (97.5) | 98.5 (98.8) | 98.0 (97.8) |
| {I/σ(I)} | 14.0 (3.7) | 13.6 (3.5) | 13.4 (2.5) |
a
Values in brackets are statistics for the highest resolution shell.
b
Rsym = where I is the observed intensity and Ī is the average intensity for multiple measurements.