Table I.
Data collection and refinement statistics for the crystal structure of the HP1a CSD. The Ramachandran plot was calculated using MOLPROBITY.
| Data collection | |
|---|---|
| Beamline | 19BM (APS) |
| Wavelength (Å) | 0.9792 |
| Unit cell (Å) | a= 44.8, b= 56.6, c=67.3 |
| Space group | P212121 |
| Solvent content (%) | 55 |
| Number of protein chains in asymmetric unit | 2 |
| Resolution range (Å) | 50.0–2.3 |
| Highest resolution shell (Å) | 2.30–2.34 |
| Unique reflections | 8023(397) |
| Redundancy | 7.1(7.3) |
| Completeness(%) | 99.4(98.8) |
| Raverage.(%) | 4.7(47.5) |
| Average I/σ (I) | 37.2(4.3) |
| Refinement | |
| R(%) | 19.9 |
| Rfree (%) | 24.6 |
| Mean B value (Å2) | 62.5 |
| B from Wilson plot (Å2) | 45.7 |
| RMS deviation bond lengths (Å) | 0.019 |
| RMS deviation bond angles (°) | 1.4 |
| Number of amino acid residues | 116 |
| Number of non-H atoms | 984 |
| Number of water molecules | 37 |
| Ramachandran plot | |
| Most favored regions (%) | 99.1 |
| Additional allowed regions (%) | 0.9 |