Table 2 X-ray data collection and refinement statistics.
From: Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners
pCH1℧ | pCH1X | pCH2 | pCH3 | |
|---|---|---|---|---|
Data collection | ||||
Space group | P 1 2 1 1 | P 2 1 21 21 | P 6 4 2 2 | P 4 1 21 2 |
Cell dimensions: a, b, c (Å) | 63.6, 140.6, 68.7 | 77.4, 97.8, 158.8 | 110.4, 110.4, 174.1 | 123.3, 123.3, 162.4 |
α, β, γ (°) | 90, 114.8, 90 | 90, 90, 90 | 90, 90, 120 | 90, 90, 90 |
Resolution range (Å)* | 47–2.35 [47–6.6] (2.51–2.35) | 46.5–3.2 [46.5–6.9] (3.31–3.20) | 48–3.2 [48–9.4] (3.38–3.19) | 49–3.9 [49–11.4] (4.12–3.89) |
Wavelength (Å) | 0.9795 | 0.9795 | 0.9795 | 0.9282 |
R merge** | 0.19 [0.07] (1.2) | 0.45 [0.08] (3.1) | 0.23 [0.03] (4.3) | 0.30 [0.06] (2.9) |
R meas | 0.20 [0.08] (1.4) | 0.49 [0.08] (3.4) | 0.23 [0.03] (4.4) | 0.30 [0.06] (3.1) |
<I/σ> | 6.5 (1.2) | 4.4 (0.7) | 14.3 (0.9) | 6.8 (1.0) |
CC 1/2 | 0.99 (0.5) | 0.99 (0.3) | 1.00 (0.5) | 1.00 (0.3) |
Completeness (%) | 95.5 (84.6) | 99.8 (99.9) | 99.6 (98.2) | 99.6 (98.4) |
Redundancy | 3.9 (3.8) | 6.5 (6.7) | 23.0 (22.3) | 12.8 (12.7) |
Refinement | ||||
No. of reflections: total | 43838 | 20548 | 10910 | 12947 |
‘free’ set | 1385 | 1016 | 977 | 1049 |
R work(%) | 19.1 | 24.7 | 21.5 | 20.9 |
R free (%) | 24.0 | 27.9 | 26.7 | 24.8 |
No. of 2:2 complexes/asu | 2 | 2 | 1 | 2 |
No. of non-H atoms: protein/ligands/solvent | 8071/35/493 | 7327/17/22 | 3655/40/7 | 7246/38/1 |
R.m.s.d. bond lengths (Å)/angles (°) | 0.010/1.0 | 0.010/1.0 | 0.010/1.1 | 0.010/1.1 |
Ramachandran favoured/outliers (%) | 97.7/0.1 | 98.1/0.1 | 96.0/0.4 | 96/0.6 |
Molprobity score/Clash score | 1.3/0.99 | 1.6/1.05 | 1.9/2.07 | 2.1/3.04 |
PDB code | 5OK9 | 5OKF | 5OM0 | 5OMA |
