Table 1.
Data Collection, Phasing, and Refinement Statistics.
| Data collection | SeMet Nav1.2/CaM/FGF13/Ca2+ | Nav1.5/CaM/FGF12B/Ca2+ | Nav1.5/CaM/FGF12B/Ca2+ with 6 Å cutoff |
| Space group | C2 | P3121 | P3121 |
| Wavelength (Å) | 0.9792 | 1.0 | 1.0 |
| Cell dimensions | |||
| a, b, c (Å) | 153.13, 86.11, 109.40 | 115.199, 115.199, 120.107 | 115.199, 115.199, 120.107 |
| α, β, γ (°) | 90.0, 100.9, 90.0 | 90.0, 90.0, 120.0 | 90.0, 90.0, 120.0 |
| Resolution (Å) | 50.00 – 3.02 (3.07 – 3.02) | 50.00 – 3.80 (3.87 – 3.80)* | 50.00 – 6.00 (6.10 – 6.00) |
| Rsym (%) | 16.4 (48.3) | 6.9 (39.2) | 5.7 (24.1) |
| I/σI | 16.8 (1.5) | 34.7 (1.8) | 53.0 (7.6) |
| Completeness (%) | 94.3 (66.6) | 46.1 (13.2) | 92.6 (61.5) |
| Redundancy | 12.5 (5.6) | 7.2 (2.2) | 8.5 (6.5) |
| SAD Phasing | |||
| Figure of Merit | 0.30 (50.0 – 3.02 Å) | ||
| Refinement | |||
| Resolution (Å) | 48.23– 3.02 (3.09 – 3.02) | 41.75 – 3.84 (5.00 – 3.54)** | 41.75 – 6.00 (7.00 – 6.00) |
| Completeness (%) | 91.8 (53.0) | 40.53 (12.91) | 92.89 (81.72) |
| No. of reflections | 26179 | 3700 | 2301 |
| Rwork/free | 21.48 / 24.64 | 26.01 / 31.75 | 23.61 / 31.82 |
| Ramachandran (%) | |||
| Favored | 95.7 | 95.5 | 95.5 |
| Outliers | 0.4 | 0.5 | 0.5 |
| R.m.s.d | |||
| Bond lengths (Å) | 0.011 | 0.011 | 0.012 |
| Bond angles (°) | 1.04 | 0.996 | 1.093 |
Rsym = Σ | Ii - < Ii > | / Σ Ii, where < Ii > is the average intensity of symmetry-equivalent reflections. Rwork = Σ | Fo – Fc | / Σ | Fo |, where Fo and Fc are the observed and calculated structure factors, respectively. Rfree = R-factor calculated using a subset (5-8%) of reflection data chosen randomly and omitted throughout refinement. The figure of merit = |F(hkl)best|/|F(hkl)| and calculated using Phaser before density modification.
*
The crystal diffracts anisotropically to 3.8/5.4/6.0 Å.
**
The data treated with ellipsoidal truncation and anisotropic scaling was used for refinement(1).