Table 2.
Crystallographic data collection and refinement of RhGmaS
| Parameters | Apo-RhGmaS | RhGmaS–AMPPCP | RhGmaS–AMPPNP–MetSox | RhGmaS–ADP–MetSox-P | RhGmaS–ADP-C1 | RhGmaS–ADP-C2 |
|---|---|---|---|---|---|---|
| Diffraction data | ||||||
| Space group | I222 | I222 | I222 | I222 | I222 | I222 |
| Unit cell | ||||||
| a, b, c (Å) | 115.9, 179.0, 192.2 | 110.9, 176.7, 191.8 | 115.6, 174.5, 190.1 | 116.6, 174.7, 190.6 | 114.7, 176.0, 190.5 | 113.4, 177.6, 190.5 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Resolution range (Å) | 50.0–2.8 (2.90–2.80) a | 50.0–1.96 (1.99–1.96) | 50.0–2.3 (2.34–2.30) | 50.0–2.1 (2.18–2.10) | 50.0–2.3 (2.34–2.30) | 50.0–2.3 (2.38–2.30) |
| Redundancy | 11.3 (10.7) | 4.6 (2.9) | 6.4 (6.0) | 4.0 (3.0) | 11.5 (10.5) | 13.4 (12.6) |
| Completeness (%) | 98.6 (99.1) | 98.1 (87.7) | 100.0 (100.0) | 97.5 (94.5) | 99.5 (100.0) | 100.0 (100.0) |
| Rmergeb | 0.1 (0.6) | 0.1 (0.4) | 0.1 (0.4) | 0.1 (0.5) | 0.2 (0.4) | 0.1 (0.5) |
| I/σI | 54.0 (14.7) | 14.2 (1.8) | 18.6 (2.9) | 21.8 (3.3) | 34.9 (6.4) | 22.6 (5.4) |
| Refinement statistics | ||||||
| Rwork/Rfree | 0.20/0.25 | 0.17/0.20 | 0.16/0.20 | 0.16/0.20 | 0.17/0.22 | 0.18/0.21 |
| RMSD from ideal geometry | ||||||
| Bond lengths (Å) | 0.009 | 0.007 | 0.007 | 0.007 | 0.007 | 0.007 |
| Bond angles (°) | 1.2 | 1.1 | 1.1 | 1.1 | 1.1 | 1.1 |
| Ramachandran plot (%) | ||||||
| Favored | 93.6 | 97.2 | 97.1 | 97.6 | 95.7 | 96.3 |
| Allowed | 6.2 | 2.8 | 2.9 | 2.3 | 4.1 | 3.7 |
| Outliers | 0.2 | 0 | 0 | 0.1 | 0.2 | 0 |
| Overall B-factors (Å2) | 57.1 | 18.9 | 37.2 | 24.3 | 35.7 | 27.1 |
a
Numbers in parentheses refer to data in the highest resolution shell.
b
Rmerge=∑hkl∑i|I(hkl)i -<I(hkl)>|/∑hkl∑iI(hkl)i, where I is the observed intensity, and I(hkl)i represents the observed intensity of each unique reflection.