Table A1.
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.