TABLE 1.
Crystallization analysis data for CHIKV and VEEV
| Parameter | Result ford:
|
|||||
|---|---|---|---|---|---|---|
| CHIKV
|
VEEV
|
|||||
| Native | Selenomethio-nylated protein | Soaked with ADP-ribose | Soaked with RNA | Native | Cocrystallized with ADP-ribose | |
| Beamline | ESRF ID14-EH2 | ESRF ID23-1 | ESRF ID23-1 | ESRF ID14-EH2 | ESRF ID23-1 | SOLEIL PROXIMA1 |
| Space group | P31 | P31 | P31 | P31 | I4 | P212121 |
| Cell dimensions (Å) | a = b = 87.06, c = 84.49 | a = b = 86.81, c = 84.70 | a = b = 87.96, c = 84.17 | a = b = 86.82, c = 81.32 | a = b = 129.63, c = 42.49 | a = 74.00, b = 87.0, c = 105.00 |
| Wavelength (Å) | 0.9330 | 0.9792 | 0.8856 | 0.9330 | 0.974 | 0.980 |
| Resolution range (Å) | 35.00-1.65 (1.74-1.65) | 35.00-1.80 (1.90-1.80) | 35.00-1.90 (2.00-1.90) | 30.00-2.00 (2.11-2.00) | 35.00-2.30 (2.42-2.30) | 30.00-2.60 (2.70-2.60) |
| Total no. of reflections | 493,231 (71,649) | 2,000,862 (237,557) | 310,123 (38,681) | 213,703 (30,275) | 108,812 (16,349) | 109,136 (10,819) |
| No. of unique reflections | 86,209 (12,610) | 64,424 (8,446) | 57,403 (8,387) | 46,206 (6,793) | 15,851 (2,317) | 20,549 (2,014) |
| Completeness (%) | 100 (100) | 97.3 (87.3) | 99.9 (99.9) | 99.6 (100.0) | 99.2 (100.0) | 99.2 (89.2) |
| I/Σ(I) | 18.1 (3.2) | 37.4 (6.1) | 15.7 (2.4) | 17.4 (2.8) | 9.0 (5.4) | 15.74 (4.72) |
| Rsym (%)a | 5.2 (46.8) | 8.8 (50.2) | 7.2 (55.4) | 5.2 (52.5) | 13.9 (26.4) | 10.4 (49.7) |
| Multiplicity | 5.7 (5.7) | 31.1 (28.1) | 5.4 (4.6) | 4.6 (4.5) | 6.9 (7.1) | 5.3 (5.4) |
| Anomalous completeness (%) | 97.1 (86.1) | |||||
| Anomalous multiplicity | 15.4 (14.0) | |||||
| R (%)b | 16.6 | 17.0 | 21.5 | 20.3 | 19.7 | |
| Rfree (%)c | 19.6 | 20.1 | 26.0 | 26.1 | 27.5 | |
| rmsd bond length (Å) | 0.012 | 0.013 | 0.014 | 0.013 | 0.010 | |
| rmsd angle (°) | 1.347 | 1.447 | 1.398 | 1.348 | 1.433 | |
| Protein Data Bank no. | 3GPG | 3GPO | 3GPQ | 3GQE | 3GQO | |
a
Rsym = Σ |I− <I> |/Σ I, where I is the observed intensity and <I> is the average intensity. Values in parentheses refer to the highest-resolution shell.
b
R = Σ ‖Fo|− |Fc‖/Σ|Fo|.
c
Rfree is calculated as R, but on 5% of all reflections that are never used in crystallographic refinement.
d
Values in parentheses refer to the highest-resolution shell. ESRF, European Synchrotron Radiation Facility.