Table A1.
Data collection and refinement statistics.
| Protein Data Bank Accession Code | 5OV9 |
|---|---|
| Data Collection Statistics | |
| Resolution range (Å) | 29.1–2.4 (2.486–2.4) |
| Space group | P 212121 |
| Unit cell (Å, °) | 79.6 113.9 226.7 90 90 90 |
| Total reflections | 332,637 (32,579) |
| Unique reflections | 80,635 (7919) |
| Multiplicity | 4.1 (4.1) |
| Completeness (%) | 98.22 (98.00) |
| Mean I/sigma (I) | 16.39 (4.94) |
| Wilson B-factor | 42.99 |
| Rmerge | 0.04764 (0.4941) |
| Rmeas | 0.0545 (0.5644) |
| Refinement Statistics | |
| Reflections used in refinement | 79975 (7902) |
| Reflections used for R-free | 1585 (143) |
| R-work | 0.1614 (0.2108) |
| R-free | 0.1989 (0.2587) |
| CC (work) | 0.967 (0.950) |
| CC (free) | 0.944 (0.905) |
| Number of non-hydrogen atoms | 9224 |
| Macromolecules | 8334 |
| Ligands | 259 |
| Solvent | 631 |
| Protein residues | 1067 |
| Rmsd from ideal values | |
| Bond length | 0.012 |
| Bond angles | 1.35 |
| Ramachandran plot (%) | |
| Favoured regions | 96.40 |
| Allowed regions | 3.31 |
| Disallowed regions | 0.28 |
Values for the highest resolution shell is shown in parenthesis.