Table 1. Crystallographic data collection and refinement statistics.
| AbiEi Native | AbiEi Se-Peak | AbiEi Se-High Remote | |
|---|---|---|---|
| PDB ID Code | 6Y8Q | - | - |
| Number of crystals | 3 | 2 | 1 |
| Beamline | Diamond I03 | Diamond I03 | Diamond I03 |
| Wavelength, Å | 0.9763 | 0.9793 | 0.9641 |
| Resolution range, Å | 42.11–1.83 (1.86–1.83)a | 42.58–2.14 (2.19–2.14) | 53.57–2.17 (2.23–2.17) |
| Space group | P1 | P1 | P1 |
| Unit cell, a b c (Å), α β γ (°) | 34.24 80.85 122.17, 102.48 96.74 100.47 | 34.78 81.37 122.99, 101.72 97.18 101.16 | 34.85 81.38 123.00, 101.74 97.31 101.19 |
| Total reflections | 207 238(10 275) | 443 813(13 873) | 129 874(8557) |
| Unique reflections | 106 620(5213) | 69 714(4469) | 65 917(4312) |
| Multiplicity | 1.9 | 6.4 | 2.0 |
| Completeness (%) | 97.4 (96.1) | 99.0 (97.1) | 97.9 (91.9) |
| Mean I/sigma(I) | 7.6 | 6.9 | 6.1 |
| Rmerge | 0.038 (0.691) | 0.169 (1.036) | 0.080 (0.593) |
| Rmeas | 0.053 (0.977) | 0.184 (1.260) | 0.113 (0.839) |
| CC1/2 | 0.999 (0.471) | 0.991 (0.463) | 0.992 (0.599) |
| Rwork | 0.1812 (0.2812) | - | - |
| Rfree | 0.2092 (0.3100) | - | - |
| No. of non-hydrogen | |||
| atoms | 7116 | - | - |
| Macromolecules | 6397 | - | - |
| Ligands | 62 | - | - |
| Solvent | 657 | - | - |
| Protein Residues | 769 | - | - |
| RMSD (bonds, Å) | 0.012 | - | - |
| RMSD (angles, °) | 1.32 | - | - |
| Ramachandran | |||
| favored (%) | 98.68 | - | - |
| Ramachandran | |||
| allowed (%) | 1.32 | - | - |
| Ramachandran | |||
| outliers (%) | 0.00 | - | - |
| Average B-factor | 39.61 | - | - |
| Macromolecules | 39.04 | - | - |
| Ligands | 46.01 | - | - |
| Solvent | 44.60 | - | - |