Table 1. Crystallographic data and refinement statistics.
| Item | Apo-KWGD (6M86) | PIP2-bound KWGD (6M84) |
|---|---|---|
| Data collection | ||
| Space group | I4 | I4 |
| Cell dimensions | ||
| a, b, c (Å) | 82.852, 82.852, 189.109 | 82.878, 82.787, 182.976 |
| α = β = γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 50 − 3.6 (3.73 − 3.60) | 91.95 − 2.80 (2.90 − 2.80) |
| Unique reflections (n) | 7,432 | 15,066 |
| Rmerge* | 0.079 (0.742) | 0.059 (0.947) |
| I/σI | 273.6/9.7 (5.9/2.1) = 29.1 (2.8) | 168.4/5.6 (4.3/2.0) = 30.1 (2.2) |
| Completeness (%) | 99.9 (100.0) | 99.9 (99.9) |
| Redundancy | 3.4 (3.2) | 3.4 (3.3) |
| Refinement | ||
| Resolution (Å) | 50 − 3.6 | 50 − 2.80 |
| Reflections (n) | 7,040 | 14,242 |
| Rwork/Rfree | 0.237/0.291 | 0.222/0.270 |
| Atoms | ||
| Protein | 2,578 | 2,620 |
| Ligand/ion | 0/5 | 52/6 |
| Water | 5 | 19 |
| B-factors | ||
| Protein | 187.0 | 98.5 |
| Ligand/ion | 0/151.3 | 164.3/101.5 |
| Water | 138.704 | 81.7 |
| Root mean square deviation | ||
| Bond length (Å) | 0.004 | 0.005 |
| Bond angles (°) | 0.851 | 1.027 |
*
Rmerge = SUM(|I − <I>|)/SUM(I).