Table 1. Data collection and refinement statistics.
| Data collection | |
| Resolution range (Å)1 | 51.27–2.5 (2.589–2.5) |
| Space group | P 42 21 2 |
| Cell dimensions | |
| a, b, c (Å) | 56.42 56.42 122.8 |
| α, β, γ (°) | 90 90 90 |
| Total reflections | 40463 (4024) |
| Unique reflections | 7354 (716) |
| Multiplicity | 5.5 (5.6) |
| Completeness (%) | 99.49 (99.86) |
| Mean I/sigma (I) | 15.76 (2.12) |
| Wilson B-factor (Å2) | 46.93 |
| Rmerge | 0.09461 (0.8619) |
| Refinement | |
| Rwork 2 | 0.2367 (0.3505) |
| Rfree 2 | 0.2736 (0.3706) |
| Number of non-hydrogen atoms | 1722 |
| Macromolecules | 1707 |
| Water | 15 |
| Protein residues | 235 |
| R.m.s deviations | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 1.05 |
| Ramachandran plot3 | |
| Favored (%) | 98 |
| Outliers (%) | 0 |
| Average B-factor (Å2) | 67.50 |
| macromolecule | 67.60 |
| solvent | 45.50 |
| PDB ID | 3WOH |
1
Data in the parenthesis was calculated according to the highest resolution shell.
2
R-factor = (Σhkl||Fo|-|Fc||)/Σhkl|Fo| where Fo and Fc are the observed and calculated structure factors respectively. Rfree was calculated with a randomly selected 5% subset that was excluded from the refinement process.
3
MolProbity was used to calculate the statistics of Ramachandran plot.