Table 1 Data collection and refinement statistics
From: Direct binding of CEP85 to STIL ensures robust PLK4 activation and efficient centriole assembly
H. sapiens CEP85570-656 | SeMet T. adhaerens STIL1-348 | Complex: SeMet T. adhaerens STIL1–348 - H. sapiens CEP85570–656 | |
|---|---|---|---|
Data collection | |||
Space group | I222 | P21 | I4132 |
Cell dimensions | |||
a, b, c (Å) | 37.9, 73.9, 128.1 | 66.0, 75.2, 68.5 | 268.7, 268.7, 268.7 |
α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 97.2, 90.0 | 90.0, 90.0, 90.0 |
Resolution (Å) | 36.98–1.67 (1.76–1.67)a | 37.62–2.09 (2.14–2.09) | 95.00–4.60 (5.14–4.60) |
R merge | 0.202 (1.552) | 0.160 (0.861) | 0.272 (3.033) |
R pim | 0.063 (0.506) | 0.077 (0.416) | 0.043 (0.470) |
I/σI | 8.6 (1.4) | 7.8 (2.0) | 13.2 (1.9) |
Completeness (%) | 98.9 (92.2) | 100.0 (100.0) | 100.0 (100.0) |
Redundancy | 11.1 (10.1) | 5.2 (5.2) | 39.9 (42.1) |
Refinement | |||
Resolution (Å) | 36.98–1.67 | 37.62–2.09 | 95.00–4.60 |
No. of reflections | 21,329 | 39,724 | 9507 |
Rwork/Rfree | 20.3/23.9 | 19.7/24.1 | 35.3/36.5 |
No. of atoms | |||
Protein | 1471 | 5247 | 1829 (poly-ala model) |
Ligand/ion | 22 (MPD) | 12 (MES) | 0 |
Water | 227 | 294 | 0 |
B-factors | |||
Protein | 22.7 | 28.5 | 271.8 |
Ligand/ion | 28.5 (MPD) | 36.4 (MES) | NA |
Water | 33.9 | 28.5 | NA |
R.m.s. deviations | |||
Bond length (Å) | 0.002 | 0.003 | 0.003 |
Bond angles (°) | 0.538 | 0.573 | 0.896 |
Validation | |||
Fo,Fc correlation | 0.96 | 0.94 | 0.86 |
Molprobity score | 1.1 (99th percentile) | 1.2 (100th percentile) | 1.3 (100th percentile) |
Molprobity clashscore | 3.0 | 2.4 | 2.7 |
Poor rotamers (%) | 0.0 | 0.2 | NA (poly-ala model) |
Ramachandran outliers (%) | 0.0 | 0.0 | 0.3 |
Ramachandran favoured (%) | 100.0 | 96.6 | 95.9 |
PDB accession code | 5OI7 | 5OI9 | 5OID |
