Table 1.
Data collection and refinement statistics. Values in parentheses correspond to the highest resolution shell.
| AtEPSPS-Nt77 | |
|---|---|
| Data collection | |
| Beamline | APS 22-ID |
| Wavelength (Å) | 1.0000 |
| Space group | I422 |
| Unit cell parameters | |
| a = b, c (Å) | 108.4, 156.8 |
| Resolution (Å) | 80–1.40 (1.48–1.40) |
| Unique reflections | 92,087 (14710) |
| Multiplicity | 18.5 (18.7) |
| Completeness (%) | 99.9 (99.7) |
| Rmergea(%) | 6.6 (140.7) |
| <I/σ(I)> | 21.8 (2.1) |
| Refinement | |
| Rfree reflections | 1012 |
| No. of atoms (non-H) | |
| protein | 3345 |
| ligands | 2 |
| solvent | 478 |
| Rwork/Rfree (%) | 15.2 / 19.0 |
| Average B-factor (Å2) | |
| protein | 31.5 |
| ligands | 51.5 |
| solvent | 44.7 |
| RMSD from ideal geometry | |
| bond lengths (Å) | 0.01 |
| bond angles (o) | 1.0 |
| Ramachandran statistics (%) | |
| favored | 97.3 |
| allowed | 2.5 |
| outliers | 0.2 |
| PDB ID | 7pxy |
a Rmeas = redundancy independent R-factor [72].
b Value for subunit A.