Table 1.
Statistics of diffraction data and refinement
| Data collection | |
| Space group | P1 |
| Unit cell parameters (a, b, c (Å); α, β, γ (deg)) | 40.92, 49.85, 83.48, 102.88, 97.46, 90.12 |
| X-ray source | ESRF ID14-2 |
| Wavelength (Å) | 0.934 |
| Resolution (Å) | 19.17–2.0 |
| Rsyma,b | 4.9 (29.1) |
| Observations (total/ unique) | 85 632/40 780 |
| Completenessb (%) | 94.5 (74.5) |
| 〈I〉/σ(I)b | 11.6 (2.9) |
| Refinement | |
| Resolution (Å) | 19.17–2.00 |
| Rwork/Rfree c | 0.196 (0.226)/0.252 (0.296) |
| Model contents | MSS4(molA): Q7-A50, D61-E123; Rab8(molD): K3-S17, |
| A32-K122, D127-T150, A154-W177 | |
| MSS4(molB): Q7-A50, D61-E123; Rab8(molC): | |
| K3-V19, T36-T64, T74-K122, V125-A152, A156-W177 | |
| 2 Zn2+ ions; | |
| 2 β-mercaptoethanol molecules; 300 water molecules | |
| RMSD bonds/angles (Å/deg) | 0.011/1.19 |
| 〈B〉 (Å2) | MSS4: 28.6; Rab8: 55.2; waters: 45.8 |
| Ramachandran plot |
Most favored: 91.1%, allowed: 8.7%, generally allowed 0.2% |
| aRsym=∑j∣Ij−〈Ij〉∣/∑jIj, where 〈Ij〉 is the average intensity of reflection j for its symmetry equivalents. | |
| bCompleteness, Rsym and 〈I/σ(I)〉 are given for all data and for the highest resolution shell: 2.05–2.00 Å. | |
| cRwork=∑∣Fobs∣−k∣Fcalc∣/∑∣Fobs∣. 5% of randomly chosen reflections were used for the calculation of Rfree. | |