Table 1.
Data collection and refinement statistics
| Native (PDB 5T77)* | SeMet† | |
|---|---|---|
| Data collection | ||
| Space group | C2 | C2 |
| Cell dimensions | ||
| a, b, c (Å) | 94.16, 99.57, 74.66 | 93.86, 99.74, 75.67 |
| α, β, γ (°) | 90, 112.91, 90 | 90, 101.84, 90 |
|
Peak
|
||
| Wavelength (Å) | 0.9791 | 0.9791 |
| Resolution (Å) | 100–2.00 (2.07–2.00)a | 70–3.15 (3.26–3.15)a |
| Rpim (%) | 6.5 (55.0) | 4.2 (25.0) |
| I/σ(I) | 9.47 (1.06) | 30.8 (4.10) |
| CC1/2 | 0.99 (0.50) | 1.00 (0.87) |
| Completeness (%) | 98.0 (94.0) | 99.5 (95.0) |
| Redundancy | 4.2 (2.2) | 50.4 (30.5) |
| Refinement | ||
| Resolution (Å) | 34.2–2.00 (2.07–2.00) | |
| No. reflections | 41992 (4018) | |
| Rwork / Rfree (%) | 18.9 / 21.4 | |
| No. atoms | 4404 | |
| Protein | 3743 | |
| Monoolein/PEG/ | 453/48/5/1/3/2 | |
| Cl−/Zn2+/Ca2+/Na+ | ||
| Water | 149 | |
| B factors | ||
| Protein | 38.2 | |
| Monoolein/PEG/ | 68.5 | |
| Cl−/Zn2+/Ca2+/Na+ | ||
| Water | 43.2 | |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.003 | |
| Bond angles (°) | 0.55 |
*
Merged from 3 native crystals grown in LCP.
†
Merged from 12 SeMet crystals grown in LCP.
a
Values in parentheses are for highest-resolution shell.