Table 1 Data collection and refinement statistics for RACB complexes
RACB +GDP PDB ID 9T3C | RACB +GPPNHP PDB ID 9T3D | RACB +GTPγS PDB ID 28NN | RACB + GTPγS + RIPb-CC2 Parallel PDB ID 9T3F | RACB + GTPγS + RIPb-CC2 Antiparallel PDB ID 9T3E | |
|---|---|---|---|---|---|
Data collection | |||||
Space group | P 31 2 | C 2 | C 2 2 21 | P 61 2 2 | C 2 2 21 |
Cell dimensions | |||||
a, b, c (Å) | 98.32, 98.32, 107.05 | 85.71, 66.70, 37.10 | 110.24, 132.51, 196.06 | 64.00, 64.00, 243.32 | 76.51, 139.45, 60.11 |
α, β, γ (°) | 90.00, 90.00, 120.00 | 90.00, 93.59, 90.00 | 90.00, 90.00, 90.00 | 90.00, 90.00, 120.00 | 90.00, 90.00, 90.00 |
Resolution (Å) | 50–2.03 (2.15–2.03) | 50–1.33 (1.36–1.33) | 50–3.00 (3.08–3.00) | 50–2.07 (2.12–2.07) | 50–2.30 (2.36–2.30) |
Rsym | 5.8 (83.4) | 4.7 (62.3) | 16.0 (233.7) | 6.4 (180.1) | 6.9 (175.1) |
I / σI | 9.7 (1.2) | 21.5 (3.2) | 12.1 (1.0) | 24.5 (1.1) | 19.5 (1.0) |
Completeness (%) | 99.8 (99.6) | 99.0 (97.5) | 99.9 (99.8) | 99.9 (99.9) | 99.9 (100) |
Redundancy | 8.1 (7.7) | 6.8 (6.0) | 13.7 (12.3) | 19.1 (20.2) | 13.4 (13.2) |
Refinement | |||||
Resolution (Å) | 2.03 | 1.33 | 3.00 | 2.07 | 2.30 |
No. reflections | 39,262 | 47,328 | 29,045 | 18,023 | 14,643 |
Rwork / Rfree | 17.26 / 19.66 | 11.64 / 14.00 | 21.48 / 27.34 | 20.55 / 24.69 | 25.85 / 31.75 |
No. atoms | |||||
Protein | 2,873 | 1,701 | 8,258 | 1,555 | 1,841 |
Ligand/ion | 123 | 54 | 199 | 33 | 44 |
Water | 169 | 214 | 13 | 51 | 14 |
B-factors | |||||
Protein | 52.1 | 19.8 | 113.9 | 76.9 | 92.5 |
Ligand/ion | 60.4 | 23.1 | 108.1 | 47.2 | 97.2 |
Water | 56.6 | 37.3 | 94.9 | 61.6 | 86.5 |
R.m.s. deviations | |||||
Bond lengths (Å) | 0.019 | 0.011 | 0.009 | 0.008 | 0.008 |
Bond angles (°) | 1.82 | 1.85 | 1.12 | 1.67 | 1.09 |
