Table 2.
Crystallographic data collection and refinement statistics
Values in parentheses are for the highest-resolution shell.
| Data collection | |
| Beamline | X25, NSLS |
| Wavelength (Å) | 1.1 |
| Space group | P1 |
| Unit-cell parameters | |
| a, b, c (Å) | 28.85, 43.45, 61.48, |
| α,β,γ (degrees) | 90.37, 101.01, 105.25 |
| Resolution (Å) | 30.12–1.55 (1.605–1.55) |
| No. of unique reflections | 32,525 (4639) |
| Multiplicity | 1.8 (1.8) |
| Completeness (%) | 95.7 (93.2) |
| Rmerge | 0.021 (0.069) |
| I/σ(I) | 18.2 (6.9) |
| Refinement statistics | |
| Resolution (Å) | 50–1.65 (1.71–1.65) |
| Reflections (total/test)a | 32,519/1390 |
| Rwork/Rfree (%) | 13.89/16.13 (14.15/18.16) |
| No. of atoms (excluding hydrogens) | |
| Protein | 2321 |
| Water | 383 |
| B factors | 19.10 |
| Protein | 17.94 |
| Water | 26.11 |
| RMSDs | |
| Bond lengths (Å) | 0.004 |
| Bond angles (degrees) | 0.71 |
| Ramachandranb | |
| Favored (%) | 98.9 |
| Allowed (%) | 1.1 |
| Outliers (%) | 0 |
| Clashscore | 2.20 |
a Reflections with F0 > 0.
b MolProbity analysis.