Table 2. Data collection and refinement statistics for the SHMT structure from H. pylori 26695.
| Data collection | |||
| Beamline | ID14eh4-ESRF | ||
| Wavelength (Å) | 0.9790 | ||
| Space group | P212121 | ||
| Unit cell dimensions (Å) | a = 57.349 b = 87.548 c = 162.476 α = β = γ = 90 | ||
| Resolution range (Å) | 46.85–2.80 (2.95–2.85) | ||
| Unique reflections | 20625 (2920) | ||
| Rsym (%) | 11.7 (54.6) | ||
| Rpim (%) | 11.3 (52.5) | ||
| CC1/2 | 0.999 (0.925) | ||
| CC* | 0.994 (0.749) | ||
| Completeness (%) | 99.1 (98.7) | ||
| Multiplicity | 3.6 (3.6) | ||
| <I/s(I)> | 10.2 (2.3) | ||
| Refined model composition | |||
| Monomers / a. u | 2 | ||
| Protein residues | |||
| Molecule A | A4-A52 | ||
| A67-A123 | |||
| A131-A411 | |||
| Molecule B | B3-B53 | ||
| B68-B119 | |||
| B135-B416 | |||
| Water molecules | 16 | ||
| Wilson B-value (Å2) | Mean B-Value (Å2) | 42.01 | 43.1 |
| Model quality indicators | |||
| Rwork / Rfree (%) | 19.53/23.56 | ||
| Rmsd bond lengths (Å) | 0.005 | ||
| Rmsd bond angles (°) | 0.795 | ||
| Estimated coordinate error (Å) | 0.37 | ||
| Molprobity clash/overall scores | 2.26/9.6 | ||
| bRamachandran analysis | |||
| % Favoured | % Allowed | 95.29 | 4.45 |
| % Disallowed | % Rotamer outlier | 0.26 | 3.76 |
| PDB ID code | 6F93 | ||