Table 1. Data-processing and refinement statistics.
Values in parentheses are for the outermost shell.
| rmGPb (R-state) | rmGPb–AMP (R-state) | rmGPb–IMP (R-state) | rmGPb (T-state) | |
|---|---|---|---|---|
| PDB entry | 3e3l | 3e3n | 3e3o | 7p7d |
| Space group | P21 | P21 | P21 | P43212 |
| a, b, c (Å) | 118.89, 189.92, 88.16 | 119.02, 188.08, 175.91 | 118.68, 188.45, 87.85 | 126.28, 126.28, 115.36 |
| α, β, γ (°) | 90, 109.27, 90 | 90, 109.82, 90 | 90, 109.10, 90 | 90, 90, 90 |
| Resolution (Å) | 30.0–2.6 (2.70–2.60) | 30.0–2.7 (2.74–2.70) | 30.0–2.6 (2.66–2.60) | 115.4–1.45 (1.47–1.45) |
| No. of observations | 626958 | 1244255 | 424414 | 1196324 |
| No. of unique reflections | 107281 | 189160 | 105631 | 164062 |
| R meas | 0.06 (0.37) | 0.07 (0.47) | 0.05 (0.50) | 0.08 (0.66) |
| Completeness (%) | 99.6 (99.6) | 94.1 (89.8) | 99.5 (96.4) | 100 (99.9) |
| 〈I/σ(I)〉 | 11.7 (3.9) | 6.2 (1.7) | 14.7 (2.8) | 13.6 (3.0) |
| CC1/2 | 0.997 (0.930) | 0.995 (0.545) | 0.996 (0.832) | 0.996 (0.940) |
| Wilson B factor (Å2) | 60.9 | 50.2 | 65.1 | 19.1 |
| R cryst | 0.207 (0.309) | 0.192 (0.288) | 0.201 (0.270) | 0.130 (0.228) |
| R free | 0.266 (0.374) | 0.258 (0.349) | 0.267 (0.346) | 0.170 (0.245) |
| No. of protein atoms | 26267 | 52714 | 26286 | 6664 |
| No. of ligand atoms | — | 184 | 92 | — |
| No of sulfate molecules | 12 | 16 | 8 | — |
| No. of water molecules | 110 | 350 | 116 | 794 |
| R.m.s.d., bond lengths (Å) | 0.010 | 0.009 | 0.011 | 0.011 |
| R.m.s.d., angles (°) | 1.3 | 1.2 | 1.4 | 1.6 |
| Ramachandran statistics | ||||
| Favoured (%) | 92 | 94 | 93 | 97 |
| Allowed (%) | 6 | 5 | 6 | 3 |
| Outliers (%) | 2 | 1 | 1 | 0 |
| Average B factor (Å2) | ||||
| Protein atoms | 49.8 | 41.0 | 43.9 | 26.4 |
| Water molecules | 50.7 | 28.8 | 55.1 | 39.1 |
| Ligand atoms (A/B/C/D/E/F/G/H) | — | 28.3/35.1/33.0/30.6/37.8/26.3/29.1/34.3 | 79.7/55.6/53.0/67.8 | — |
| Sulfate atoms | 56.3 | 46.5 | 93.7 | — |