Table 1.
Data collection and refinement statistics (molecular replacement).
| Data collectiona | |
|---|---|
| Space group | P 1 |
| Cell dimensions | |
| a,b,c | 38.46, 42.12, 65 |
| α,β,γ | 80.66, 86.02, 63.02 |
| Resolution (Å) | 37.10–1.90 (37.11–1.90) b |
| Unique reflections | 24,891 (1,477) |
| Wilson B-factor | 23.7 |
| Rmerge (%) | 6.0 (15.4) |
| I/sI | 8.13 (1.90) |
| Completeness (%) | 88.1 (37.10-1.90) |
| Redundancy | 90.7 |
| Refinement | |
| Reflections used | 24,891 (1,447) |
| Rwork/Rfree (%) | 21.1/23.5 (28.4/29.6) |
| Atom number | |
| Number of Protein atoms | 9351 |
| Number of solvent atoms | 847 |
| Zn | 7 |
| r.m.s.c deviations | |
| Average B-factors | 26 |
| Bond length(Å)) | 0.013 |
| Bond angles(°) | 1.49 |
| Bond lengths | 0.006 |
| Bond angles | 1.236 |
| MolProbity clashscore | 12.11 |
| %Ramachandran outliers | 0 |
| %Rotamer outliers | 0 |
a
One crystal was used to determine each structure.
b
Values in parentheses are for highest-resolution shell.
c
r.m.s. root mean square.