Table 1. X-ray Crystallographic Statistics.
| 2B4-CD48 | 2B4 | CD48 | |
|---|---|---|---|
| Data-Processing Statistics | |||
| Resolution limit (Å)a | 1.63 (1.69-1.63) | 2.38 (2.44-2.38) | 1.66 (1.72-1.66) |
| Space group | C2 | P21212 | I41 |
| Cell dimensions (Å, °) | a = 67.7 b = 37.0 c = 94.6 β = 108.7 | a = 79.0 b = 183.3 c = 59.7 | a = 78.8 c = 31.3 |
| Unique reflectionsa | 28061 (2733) | 34221 (2963) | 11309 (1041) |
| Completeness (%)a | 99.1 (97.4) | 97.0 (85.7) | 97.2 (81.5) |
| Rmerge (%)a,b | 5.5 (18.0) | 4.5 (28.8) | 4.7 (20.0) |
| I/σI a | 53.6 (8.0) | 33.4 (4.2) | 66.7 (8.4) |
| Refinement Statistics | |||
| Rwork (%)c | 19.0 | 22.4 | 20.2 |
| Rfree (%)c | 24.3 | 26.9 | 26.1 |
| Number of atoms: protein/H2O/SO42- | 1704/213/5 | 3307/128 | 797/81 |
| Mean B Values (Å2) | |||
| Main chains | 18.3 | 47.1 | 22.6 |
| Side chains | 22.0 | 47.5 | 26.0 |
| H2O | 31.2 | 47.5 | 34.6 |
| RMSDs from Ideality | |||
| Bond lengths (Å) | 0.019 | 0.014 | 0.018 |
| Bond angles (°) | 1.78 | 1.55 | 1.76 |
| Ramachandran-Plot Statistics | |||
| Most favored (%) | 89.7 | 88.3 | 91.6 |
| Additionally allowed (%) | 9.2 | 10.9 | 7.2 |
| Generally allowed (%) | 1.1 | 0.8 | 1.2 |
| Disallowed (%) | 0 | 0 | 0 |
a
Values in the parentheses are statistics of the highest resolution shell.
b
, where Ij is the intensity of an individual reflection and < I > is the average intensity of that reflection.
c
, where Fc is the calculated structure factor. Rfree is as for Rwork but calculated for a randomly selected 5.0% of reflections not included in the refinement.