Table 2.
Data collection and refinement statistics for the crystallography
| Crystal | MSMEG_3356 | MSMEG_3380 |
|---|---|---|
| PDB ID | 3H96 | 3F7E |
| Space group | P1211 | P212121 |
| Unit cell (Å) | a = 59.65, b = 71.15, c = 63.84 | a = 56.86, b = 65.35, c = 69.74 |
| Unit cell (°) | α = 90, β = 90.39, γ = 90 | α = 90, β = 90, γ = 90 |
| Data collection | ||
| Resolution (Å)a | 45.7–2.0 (2.11–2.00) | 22–1.23 (1.23–1.30) |
| Unique reflections | 34129 | 73957 |
| Redundancy | 7.2 (6.4) | 6.4 (6.2) |
| <I/σ(I)> | 5.7 (3.3) | 6.8 (1.5) |
| Completeness (%) | 94.5 (91.5) | 97.6 (95.4) |
| Rsym (%)b | 10.5 (17.4) | 7.2 (49.4) |
| Refinement | ||
| No. reflections work/free | 31 389/2743 | 70 232/3725 |
| Resolution range | 45.7–2.0 (2.05–2.00) | 20–1.23 (1.26–1.23) |
| Rwork/Rfree (%)c | 19.0/25.5 (20.9/27.7) | 16.8/19.1 (20.0/23.1) |
| R.m.s deviations | ||
| Lengths (Å) | 0.025 | 0.012 |
| Angles (°) | 1.84 | 1.59 |
a
Values in parenthesis are for the highest resolution shell.
b
Rsymm = |Ij – Ij|/Ij, where Ij is the averaged intensity for symmetry related reflections.
c
Rwork = |F(obs) – F(calc)|/F(obs); 5% of the data that were excluded from the refinement were used to calculate Rfree.