TABLE 1.
Data collection and refinement statistics
AU, asymmetric unit; r.m.s., root mean square.
| NHE1CaMBR/Ca2+/CaM | |
|---|---|
| Data collection | |
| Space group | C121 |
| Cell dimensions (Å) | a = 201.28, b = 38.37, c = 34.11 |
| α = γ = 90.0°, β = 91.4° | |
| Matthews coefficient (Å3Da−1) | 2.73 |
| Solvent content (%) | 55.03 |
| No. of molecules per AU | 1 |
| Resolution (Å) | 20–2.23 (2.40–2.23) |
| Wavelength (Å) | λ = 0.978 |
| X-ray source | PXII (Swiss Light Source) |
| Rmeas* (%) | 14.8 (69.7) |
| Rmrgd-F* (%) | 8.6 (32.2) |
| I/Iσ | 16.52 (5.93) |
| Completeness (%) | 96.0 (83.3) |
| No. of observed reflections | 156,701 (23092) |
| No. of unique reflections | 12,449 (2100) |
| Refinement | |
| Resolution (Å) | 30–2.23 |
| No. of unique reflections | 12,447 |
| No. of reflections in test set | 623 |
| Rwork/Rfree (%) | 17.34/23.17 |
| No. of atoms in AU | 1885 |
| No. of water molecules | 114 |
| Wilson B-factor (Å2) | 28.84 |
| r.m.s. deviations | |
| Bond lengths (Å) | 0.010 |
| Bond angles (°) | 1.156 |
* As defined by Diedrichs and Karplus (REF) (55).