Table 1 Data collection and refinement statistics
From: Structural mechanism of synergistic activation of Aurora kinase B/C by phosphorylated INCENP
AURKC: INCENP: BRD-7880 | AURKC: INCENP: VX-680 | AURKA: BRD-7880 | |
|---|---|---|---|
PDB ID | 6GR8 | 6GR9 | 6GRA |
Space group | P212121 | P3121 | P6122 |
No. of molecules in the asymmetric unit | 1 | 1 | 1 |
Unit cell dimensions a, b, c (Å), α, β, γ (°) | 56.7, 72.5, 83.1 90.0, 90.0, 90.0 | 82.6, 82.6, 121.0 90.0, 90.0, 120.0 | 83.2, 83.2, 171.9 90.0, 90.0, 120.0 |
Data collection | |||
Resolution range (Å)a | 56.65–1.75 (1.78–1.75) | 71.55–2.25 (2.32–2.25) | 85.93–2.60 (2.74–2.60) |
Unique observationsa | 34077 (1433) | 23264 (2104) | 11497 (1603) |
Average multiplicitya | 5.4 (4.1) | 5.2 (4.9) | 8.6 (8.3) |
Completeness (%)a | 97.1 (77.3) | 100.0 (100.0) | 100.0 (100.0) |
R merge a | 0.10 (0.58) | 0.07 (0.66) | 0.07 (0.77) |
Mean ((I)/σ(I))a | 9.8 (2.1) | 14.8 (2.0) | 13.3 (2.4) |
Mean CC(1/2) | 0.995 (0.709) | 0.999 (0.689) | 0.999 (0.818) |
Refinement | |||
Resolution range (Å) | 54.61–1.75 | 71.55–2.25 | 66.52–2.60 |
R-value, Rfree | 0.18, 0.22 | 0.18, 0.22 | 0.21, 0.27 |
r.m.s. deviation from ideal bond length (Å) | 0.008 | 0.008 | 0.008 |
r.m.s. deviation from ideal bond angle (°) | 1.35 | 1.33 | 1.29 |
Ramachandran outliersb most favoured | 0.31% 97.5% | 0.00% 96.03% | 0.00% 97.15% |
Average B-factors (protein, ligand, solvent) (Å2) | 19, 16, 28 | 46, 40, 42 | 80, 73, 63 |
