Table 5.
Data collection and refinement statistics of rRBP and rRBP67L/91H variant
| Spacegroup details | ||
| Cell dimensions (a, b, c) (Å) | 1, b, 101.34, c, 71.98 | 1, b, 101.76, c, 72.72 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 |
| Space group | R3 | R3 |
| No. of molecules per asymmetric unit | 1 | 1 |
| Data collection and processing statistics | ||
| Station (Synchrotron) | Daresbury PX9.5 | EMBL-Hamburg X31 |
| Image plate | Mar30 | Mar18 |
| Wavelength (Å)0.90 | 1.09 | |
| No. of observations | 67,359 | 109,525 |
| No. of unique reflections | 28,189 | 18,890 |
| Maximum resolution (Å) | 1.7 | 2.0 |
| Completeness (outermost shell) (%)a | 90.5 (91.0) | 98.0 (92.7) |
| Rsym (I) (outermost shell) (%)b | 4.7 (50.5) | 10.2 (37.0) |
| <I/σ (I) > (outermost shell) | 7.68 (2.59) | 7.53 (3.19) |
| Outermost shell (Å) | 1.72–1.70 | 2.07–2.00 |
| Refinement statistics and model quality | ||
| Resolution range (Å) | 40.0–1.7 | 40.0–2.0 |
| No. of reflections27,458 | 18,877 | |
| No. of protein atoms | 1,407 | 1,398 |
| No. solvent molecules | 205 | 218 |
| No. of glycerol molecules | 6 | 5 |
| Rfree (%)a | 27.0 | 22.9 |
| Rconv (%)b | 24.8 | 20.5 |
| RMS deviations in | ||
| bonds (Å) | 0.007 | 0.006 |
| angles (°) | 1.469 | 1.379 |
| Temperature factors (Å2) | ||
| overall | 26.3 | 22.6 |
| average main-chain | 24.1 | 20.1 |
| average side-chain | 24.7 | 21.6 |
| from Wilson plot | 23.1 | 18.8 |
aCompleteness in the range ∞-resmax, where resmax is the maximum resolution to which data were collected. Rfree = ∑hkl⊂τ||Fobs-k|Fcalc||/∑hdl⊂τ|Fobs|×100, where hkl|Ndτ represents the test set (5% of the diffraction data).
bRconv=∑hkl||Fobs-k|Fcalc||/∑hkl|Fobs|×100.
Deviations from ideal values (Engh and Humber 1991).