Table 3. Statistics for the refined model of T. aquaticus SCS in complex with GDP-Mn2+ .
| Resolution limit () | 2.35 |
| Space group | C2 |
| Unit-cell parameters (, ) | a = 261.7, b = 126.8, c = 110.6, = = 90, = 112.8 |
| R factor† (%)/No. of data | 20.4/114027 |
| R free ‡ (%)/No. of data | 24.5/6048 |
| No. of protein atoms§ | 19690 |
| No. of atoms in GDP-Mn2+ | 116 |
| No. of water molecules | 735 |
| R.m.s.d. for bond lengths () | 0.008 |
| R.m.s.d. for bond angles () | 1.0 |
| Ramachandran plot, residues in | |
| Most favoured regions | 2032 (92.4%) |
| Additional allowed regions | 164 (7.5%) |
| Generously allowed regions | 0 |
| Disallowed regions | 4 (0.2%) |
| Average temperature factors (2) | |
| Protein atoms (range) | 43 (12139) |
| GDP-Mn2+ atoms (range) | 48 (3365) |
| Water molecules (range) | 36 (1156) |
| Chains A, D, F, H (-subunits) | 35, 34, 36, 34 |
| Chains B, E, G, I (-subunits) | 48, 49, 49, 49 |
†
R factor = 
.
‡
R factor based on data excluded from the refinement (5%).
§
The residues modelled are residues 1288 of chains A, D, F and H for the -subunit and residues 178 of chain B, 1373 of chain E, 1352 and 355371 of chain G and 1371 of chain I for the -subunit.