Table 2.
Crystallographic data for human meizoIIRRΔF1 bound to PPACK (PDB ID 3E6P)
| Data collection: | |
| Wavelength (Å) | 0.9 |
| Space Group | P41212 |
| Unit cell dimension (Å) | a = b = 121.3, c = 100.2 |
| Molecules/asymmetric unit | 1 |
| Resolution range (Å) | 40.0-2.1 |
| Observations | 479436 |
| Unique observations | 40469 |
| Completeness (%) | 92.4 (79.0) |
| Rsym (%) | 11.2 (43.8) |
| I/σ(I) | 17.7 (2.0) |
| Refinement: | |
| Resolution (Å) | 40.0-2.1 |
| |F|/σ(|F|) | > 0 |
| Rcryst, Rfree | 0.211, 0.249 |
| Reflections (working/test) | 38428/2026 |
| Protein atoms | 2928 |
| Solvent molecules | 208 |
| PPACK/Na+ | 1/1 |
| Rmsd bond lengthsa (Å) | 0.012 |
| Rmsd anglesa (°) | 1.4 |
| Rmsd ΔB (Å2) (mm/ms/ss)b | 0.86/0.47/2.06 |
| <B> protein (Å2) | 44.4 |
| <B> solvent (Å2) | 49.9 |
| <B> PPACK/Na+ (Å2) | 32.0/36.0 |
| Ramachandran plot: | |
| Most favored (%) | 99.2 |
| Generously allowed (%) | 0.4 |
| Disallowed (%) | 0.4 |
a
Root-mean-squared deviation (Rmsd) from ideal bond lengths and angles and Rmsd in B-factors of bonded atoms.
b
mm, main chain-main chain; ms, main chain-side chain; ss, side chain-side chain.