Table 1.
Data collection and refinement statistics
| Native | Se-Met | |
|---|---|---|
| Data collection# | ||
| Space group | I23 | I23 |
| Cell dimensions | ||
| a, b, c (Å) | 173.8, 173.8, 173.8 | 171.0, 171.0, 171.0 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Resolution (Å)* | 50-2.8 (2.9-2.8) | 50-4.0 (4.47-4.0) |
| Rmerge | 0.1879 (2.25) | 0.259 (2.403) |
| Rmeas | 0.1994 | 0.266 (2.469) |
| Rpim | 0.062 (0.565) | |
| CC(1/2) | 0.996 (0.167) | 0.998 (0.739) |
| I / σI | 10.18 (0.60) | 9.2 (2.1) |
| Completeness (%) | 99.94 (99.58) | 100 (100.0) |
| Multiplicity | 9.0 (4.6) | 18.7 (19.0) |
| Refinement | ||
| Resolution (Å) | 46.46 - 2.8 | |
| No. reflections | 194239 (9832) | |
| Rwork / Rfree | 0.219/0.277 | |
| No. atoms | 4138 | |
| Protein | 3859 | |
| DDM | 35 | |
| Acyl chains | 18 | |
| Phospholipids | 225 | |
| Water | 1 | |
| B-factors | 81.12 | |
| Protein | 78.73 | |
| DDM | 114.38 | |
| Acyl chains | 66.31 | |
| Phospholipids | 118.27 | |
| Water | 36.62 | |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.015 | |
| Bond angles (°) | 1.16 | |
#
The Se-Met dataset was collected from two crystals and the native dataset from a single crystal.
*
Values in parentheses are for highest-resolution shell.