Extended Data Table 3.
Data collection and refinement statistics for LNX2PDZ2 by room-temperature crystallography
| LNX2PDZ2 (high-resolution) | ||
|---|---|---|
| Data collection | ||
| Space group | C2 | |
| Cell dimensions | ||
| a, b, c (Å) | 64.91, 39.29, 38.80 | |
| α,β,γ (°) | 90, 117.41, 90 | |
| Resolution (Å) | 34.45–1.05 (1.05–1.01)* | |
| Rsym or Rmerge | 0.051 (0.54) | |
| I/σI | 12.84 (0.45) | |
| Completeness (%)† | 77.6 (3.0) | |
| Redundancy | 5.8 (1.2) | |
| Refinement | With alternate conformations | No alternate conformations |
| Resolution (Å) | 34.45–1.05 | 34.45–1.05 |
| No. reflections | 35,251 (137) | 35,251 (137) |
| Rwork/Rfree | 11.9/13.4 | 12.6/14.0 |
| No. atoms (non-H) | 1,039 | 824 |
| Protein | 929 | 719 |
| Ligand/ion | 0 | 0 |
| Water | 104 | 99 |
| B-factors | 19.2 | 19.7 |
| Protein | 17.1 | 17.3 |
| Ligand/ion | n/a | n/a |
| Water | 37.1 | 36.2 |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.022 | 0.023 |
| Bond angles (°) | 1.86 | 1.88 |
On the basis of data collected from a single crystal.
*
Highest-resolution shell is shown in parentheses. Data were retained based on CC1/2 >50%. I/σI falls below 2 at 1.08 Å.
†
Completeness over 50–1.5 Å is 98.2%. Completeness falls below 50% (I/σI = 1) at 1.1 Å.