Table 3.
Data collection and Refinement Statistics
| Pyk2-FAT/LD2 | Pyk2-FAT/LD4 | ||
|---|---|---|---|
| Data collection | |||
| Space group | P6222 | P212121 | |
| Cell dimensions | |||
| a, b, c (Å) | 183.0, 183.0, 52.9 | 83.5, 83.8, 170.6 | |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 90 | |
| Resolution (Å) | 3.5 (3.62–3.50)a | Truncated* | 3.1 (3.22–3.10) |
| Rmerge | 10.4 (30.2) | 11.8 (27.2) | 6.0 (64.7) |
| I/σI | 25.3 (2.0) | 30.4 (6.9) | 25.8 (1.8) |
| Completeness (%) | 84.4 (31.9)b | 80.5 (5.4) | 97.9 (94.4) |
| Redundancy | 9.5 (2.9) | 10.4 (4.7) | 5.0 (3.9) |
| Refinement | |||
| Resolution (Å) | 30.0–3.5 | 30.0–3.1 | |
| No. reflections | 5,735 | 20,847 | |
| Rwork/Rfree | 22.1/24.0 | 21.8/26.6 | |
| No. atoms | |||
| Protein | 945 | 3,834 | |
| Peptide | 159 | 455 | |
| Water | 0 | 3 | |
| B-factors | |||
| Protein | 87.4 | 105.9 | |
| Peptide | 119.5 | 128.3 | |
| Water | 99.5 | ||
| R.m.s. deviations | |||
| Bond lengths(Å) | 0.007 | 0.008 | |
| Bond angles (°) | 0.97 | 1.1 |
a
Values in parenthesis are for the highest resolution shell.
*
Truncated values correspond to statistics after elliptical truncation prompted by strong anisotropy.
b
Pyk2-FAT/LD2 data completeness 100% to 4.2 Å before and after truncation.