Table 1.
Data Collection, Phasing, and Refinement Statistics
| Data Collection | Form A | Form B | K2OsO4 |
|---|---|---|---|
| Space group | P41212 | P3221 | P41212 |
| Unit cell dimensions | a = b = 120.26 Å; c = 97.29 Å; α = β = γ = 90° | a = b = 90.38 Å; c = 149.1 Å; α = β = 90.0°; γ = 120.0° | a = b = 120.53 Å; c = 97.40 Å; α = β = γ = 90° |
| Wavelength (Å) | 1.2 | 0.99 | 1.2 |
| Resolution limits (Å) | 30.0 to 2.8 | 50.0 to 1.9 | 25.0 to 3.2 |
| Reflections | |||
| Total (n) | 500,955 | 412,612 | 234,634 |
| Unique (n) | 18,126 | 56,180 | 12,321 |
| Completeness (last shell) | 100 (100) | 97.5 (92.5) | 99.7 (100) |
| Average I/σ (last shell) | 17.9 | 19.4 | 16.0 |
| Rmerge (%) | 0.062 (0.45) | 0.082 (0.338) | 0.076 (0.327) |
| Derivative | |||
| Concentration (mM) | 1.00 | ||
| Soaking time (h) | 6.00 | ||
| FOM (before DM)a | 0.45 | ||
| FOM (after DM) | 0.65 | ||
| Refinement statistics | Ramachandran statistics | ||
| Resolution (Å) | 25.0 to 1.9 | Percentage of residues in allowed regions | 91.9 |
| Rwork | 0.20 | Percentage of residues in additional allowed | 7.9 |
| Rfree | 0.23 | Percentage of residues in generously allowed | 0.2 |
| Percentage of residues in not allowed | 0.0 | ||
| Model | |||
| PME 317 | Amino acid residues | ||
| PMEI 151 | Amino acid residues | ||
| 462 | Water molecules |
a
DM, density modification; FOM, figure of merit.