| Data . | MGD•GDP (SeMet-SAD) 5GNT . | MGD 5GNU . | MGD K88A•GTP 5GNS . | MGD K88A•GDP 5GNR . |
|---|---|---|---|---|
| Space group | P212121 | P212121 | P212121 | P212121 |
| Cell parameters | ||||
| a (Å) | 70.36 | 73.0 | 71.66 | 71.34 |
| b (Å) | 72.53 | 76.49 | 74.67 | 74.98 |
| c (Å) | 94.07 | 95.36 | 94.76 | 94.45 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Wavelength used (Å) | 0.9785 | 0.9785 | 0.9785 | 0.9785 |
| Resolution (Å) | 50 (2.71)–2.66 | 50 (4.19)–4.10 | 50 (2.42)–2.30 | 50 (2.74)a–2.65 |
| No. of all reflections | 204,360 (9397) | 19,796 (1112) | 122,150 (18,308) | 119,107 (12,080) |
| No. of unique reflections | 14,293 (681) | 4318 (227) | 40,802 (5930) | 15,269 (1510) |
| Completeness (%) | 99.9 (100) | 97.9 (99.6) | 99.1 (99.4) | 99.8 (100) |
| Average I/σ(I) | 56.7 (7.0) | 13.5 (1.34) | 10.2 (2.3) | 21.38 (1.74) |
| Rmergeb (%) | 8.4 (62.3) | 8.9 (78.0) | 5.3 (44.3) | 8.6 (81.5) |
| Refinement | ||||
| No. of reflections | 14,251 | 3371 | 14,425 | 13,579 |
| Rworkc (%) | 21.0 | 28.9 | 21.2 | 25.4 |
| Rfreec (%) | 27.3 | 31.3 | 28.3 | 29.3 |
| rmsd bond distance (Å) | 0.010 | 0.008 | 0.010 | 0.012 |
| rmsd bond angle (°) | 1.486 | 1.653 | 1.388 | 1.483 |
| Average B-value (Å2) | 46.3 | 120.3 | 56.23 | 41.8 |
| No. of protein atoms | 3,021 | 2,985 | 3,048 | 3,025 |
| No. of ligand atoms | 28 | 0 | 32 | 28 |
| No. of solvent atoms | 18 | 0 | 8 | 10 |
| Ramachandran plot | ||||
| Residues in favored regions (%) | 92.39 | 83.15 | 92.88 | 90.72 |
| Residues in generously allowed regions (%) | 7.07 | 14.95 | 7.12 | 8.75 |
| Residues in disallowed regions (%) | 0.54 | 1.9 | 0 | 0.53 |
| Data . | MGD•GDP (SeMet-SAD) 5GNT . | MGD 5GNU . | MGD K88A•GTP 5GNS . | MGD K88A•GDP 5GNR . |
|---|---|---|---|---|
| Space group | P212121 | P212121 | P212121 | P212121 |
| Cell parameters | ||||
| a (Å) | 70.36 | 73.0 | 71.66 | 71.34 |
| b (Å) | 72.53 | 76.49 | 74.67 | 74.98 |
| c (Å) | 94.07 | 95.36 | 94.76 | 94.45 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Wavelength used (Å) | 0.9785 | 0.9785 | 0.9785 | 0.9785 |
| Resolution (Å) | 50 (2.71)–2.66 | 50 (4.19)–4.10 | 50 (2.42)–2.30 | 50 (2.74)a–2.65 |
| No. of all reflections | 204,360 (9397) | 19,796 (1112) | 122,150 (18,308) | 119,107 (12,080) |
| No. of unique reflections | 14,293 (681) | 4318 (227) | 40,802 (5930) | 15,269 (1510) |
| Completeness (%) | 99.9 (100) | 97.9 (99.6) | 99.1 (99.4) | 99.8 (100) |
| Average I/σ(I) | 56.7 (7.0) | 13.5 (1.34) | 10.2 (2.3) | 21.38 (1.74) |
| Rmergeb (%) | 8.4 (62.3) | 8.9 (78.0) | 5.3 (44.3) | 8.6 (81.5) |
| Refinement | ||||
| No. of reflections | 14,251 | 3371 | 14,425 | 13,579 |
| Rworkc (%) | 21.0 | 28.9 | 21.2 | 25.4 |
| Rfreec (%) | 27.3 | 31.3 | 28.3 | 29.3 |
| rmsd bond distance (Å) | 0.010 | 0.008 | 0.010 | 0.012 |
| rmsd bond angle (°) | 1.486 | 1.653 | 1.388 | 1.483 |
| Average B-value (Å2) | 46.3 | 120.3 | 56.23 | 41.8 |
| No. of protein atoms | 3,021 | 2,985 | 3,048 | 3,025 |
| No. of ligand atoms | 28 | 0 | 32 | 28 |
| No. of solvent atoms | 18 | 0 | 8 | 10 |
| Ramachandran plot | ||||
| Residues in favored regions (%) | 92.39 | 83.15 | 92.88 | 90.72 |
| Residues in generously allowed regions (%) | 7.07 | 14.95 | 7.12 | 8.75 |
| Residues in disallowed regions (%) | 0.54 | 1.9 | 0 | 0.53 |
rmsd, root mean square deviation.
Numbers in parentheses are corresponding values for the highest-resolution shell.
Rmerge=ΣhΣi|Ih,i − Ih|/ΣhΣiIh,i, where Ih is the mean intensity of the i observations of symmetry related reflections of h.
Rwork =Σ|Fobs − Fcalc|/ΣFobs, where Fcalc is the calculated protein structure factor from the atomic model; Rfree is an R factor for a preselected subset (5%) of reflections that was not included in refinement.