Table 1 Data collection and refinement statistics for crystals.
From: Structural insight into the mechanism of synergistic autoinhibition of SAD kinases
KD-UBA | KD-UBA+AIS-KA1 | |
|---|---|---|
Data collection* | ||
Space group | P1 | C121 |
Cell dimensions | ||
a, b, c (Å) | 43.3, 60.7, 73.9 | 98.1, 87.3, 80.3 |
α, β, γ (°) | 103.7, 106.5, 107.4 | 90, 92.3, 90 |
Resolution (Å) | 30.00–2.00 (2.03–2.00)† | 50.00–2.49 (2.58–2.49) |
Rsym or Rmerge | 8.7 (46.0) | 8.7 (71.9) |
Rp.i.m. (%) | 7.6 (38.8) | 3.4 (27.8) |
I/σI | 8.2 (1.3) | 26.9 (4.8) |
CC1/2§ | 0.618 | 0.934 |
Completeness (%) | 96.2 (85.7) | 100.0 (100.0) |
Redundancy | 2.3 (1.9) | 7.5 (7.5) |
Refinement | ||
Resolution (Å) | 29.68–2.00 (2.05–2.00) | 34.58–2.49 (2.59–2.49) |
No. reflections | 41,937 | 23,731 |
Rwork/Rfree | 19.0/22.9 | 19.7/23.6 |
No. atoms | ||
Protein | 5,153 | 3,440 |
Ligand/ion | 0 | 8 |
Water | 163 | 67 |
B-factors | ||
Protein | 48.6 | 54.5 |
Ligand/ion | 0 | 63.7 |
Water | 48.1 | 43.3 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.008 | 0.008 |
Bond angles (°) | 1.110 | 1.085 |
