Table I.
Data Collection and Refinement Statistics
| Space group | P3221 |
| Unit cell (Å) | a = b = 73.44, c = 43.33 |
| Wavelength (Å) | 0.97931 |
| Highest resolution bin (Å) | 2.14–2.10 |
| Rmerge (%) | 7.0 (42.9) [5.1 (39.4)] |
| Completeness (%) | 99.7 [99.7] |
| I/σI | 12.5 (3.2) |
| Redundancy | 7.1 [3.8] |
| Wilson B-factor | 44.4 |
| Phasing and refinement | |
| Resolution (Å) | 28.0–2.1 |
| Phasing power | 1.3 |
| Number of reflections | 8041 |
| Rwork/Rfree (%) | 17.5/21.0 (21.8/22.5) |
| Number of atoms | |
| Protein | 596 |
| Ligand/ion | 11 |
| Water | 30 |
| B-factors | |
| Protein | 62.6 |
| Water | 68.0 |
| RMSD bond (Å) | 0.016 |
| RMSD angle (Å) | 1.777 |
| Ramachandran plot (%) | |
| Most favored | 97.1 |
| Allowed | 2.9 |
| Disallowed | 0 |
| PDB ID | 4NEO |
Rmerge = ΣhklΣi|Ii − <I>|/ΣhklΣi|<I>, where Ii is the intensity for the ith measurement of an equivalent reflection with indices h, k, and l.
Rwork = (Σ|Fo| − |Fc|)/Σ||Fo|, where Fo and Fc denote observed and calculated structure factors, respectively.
Rfree was calculated with 5% of the data excluded from refinement.
Numbers in parentheses are for the highest resolution bin.
Numbers in brackets are statistics with the Bijvoet pairs unmerged.