Table 1. Data collection and refinement statistics.
| RIP2K-AMPPCP | RIP2KD146N-STAU | RIP2KK47R | |
|---|---|---|---|
| Data Collection | |||
| Space group | P41212 | P41212 | P212121 |
| Cell dimensions | |||
| a,b,c (Å) | 94.21,94.21,201.06 | 96.08,96.08,202.27 | 77.00, 103.23, 204.54 |
| α,β,γ (°) | 90.00, 90.00, 90.00 | 90.00,90.00,90.00 | 90.00,90.00,90.00 |
| Wavelength | 0.976 | 1.07 | 0.972 |
| Resolution (Å) | 47.25–2.00 (2.05–2.00) | 48.04–2.8 (2.95–2.8) | 92.16–2.6 (2.69–2.6) |
| Rmerge | 0.035 (0.389) | 0.192 (1.144) | 0.128 (0.902) |
| I/σ | 19.9 (2.9) | 8.8 (2.0) | 6.5 (1.5) |
| Completeness (%) | 92.8 (71.9) | 99.9 (100.0) | 98.6 (99.5) |
| Redundancy | 3.8 (2.5) | 7.2 (7.2) | 4.0 (4.1) |
| Refinement | |||
| Resolution (Å) | 2 | 2.8 | 2.6 |
| No. of unique reflections | 54007 | 22957 | 47644 |
| Rwork/Rfree (%) | 17.03/19.14 | 20.85/22.50 | 23.09/26.56 |
| No. of atoms | 4992 | 4679 | 9229 |
| Protein | 4525 | 4528 | 9062 |
| ATP/Mg2+/SB2/STAU/ Glycerol/ SO4/ PO4 | 69 (ATP/Mg) | 100 (STAU/PO4) | 110 (SO4) |
| Water | 397 | 51 | 53 |
| B factors | 37.98 | 56.43 | 70 |
| Protein | 37.69 (Chain_A) | 55.52 (Chain_A) | 67.70 (Chain_A) |
| 37.82 (Chain_B) | 57.10 (Chain_B) | 67.00 (Chain_B) | |
| 71.54 (Chain_C) | |||
| 72.69 (Chain_D) | |||
| ATP/Mg2+/SB2/STAU/Glycerol/ SO4/ PO4 | 43.10–39.79 | 55.64 (STAU) | 106.43 (SO4) |
| (ATP- Mg2+) | 112.34 (PO4) | ||
| Water | 44.63 | 35.07 | 45.6 |
| Bond lengths (Å) | 1.337 | 1.7324 | 1.435 |
| Bond angles (°) | 0.041 | 0.008 | 0.094 |
| Validation | |||
| Ramachandran outliers | 0.00% | 0.00% | 0.00% |
| Ramachandran allowed | 98.60% | 97.60% | 96.90% |
| Rotamer outliers | 1.20% | 1.60% | 4.90% |
| Clashscore | 1.43 | 0.87 | 2.8 |
| Molprobity score | 0.94 | 1 | 1.78 |
Values in parenthesis refer to high resolution shell.
Validation has been run through the Molprobity interface of Phenix.