Table 1. Data collection and refinement statistics.
Diffractions statistics | |
Wavelength [Å] | 1.0000 |
Resolution range [Å] | 32.0–2.0 (2.07–2.0) |
Space group | P 1 |
Unit cell parameters [Å, °] | a = 57.20 b = 65.69 c = 88.35α = 111.61 β = 97.47 γ = 91.28 |
No. of observations | 121323 (12226) |
No. of unique reflections | 72374 (7448) |
Multiplicity | 1.7 (1.6) |
Completeness | 0.90 (0.95) |
Mean I/σ(I) | 13.9 (3.8) |
Wilson B-factor [Å2] | 27.28 |
Rmerge | 0.039 (0.225) |
Rmeas | 0.055 (0.318) |
CC1/2 | 0.998 (0.858) |
CC* | 0.999 (0.961) |
Refinement | |
No. of reflections used in refinement | 72235 (7445) |
No. of reflections used for Rfree | 3616 (381) |
Rwork | 0.188 (0.214) |
Rfree | 0.232 (0.264) |
Number of non-hydrogen atoms | 8974 |
macromolecules | 8507 |
No. of protein residues | 1086 |
Bond r.m.s.d [Å] | 0.008 |
Angle r.m.s.d [°] | 1.12 |
Ramachandran favored (%) | 97 |
Ramachandran outliers (%) | 0.19 |
Average B-factor | 32.45 |
macromolecules | 32.42 |
solvent | 32.89 |
Statistics for the highest-resolution shell are shown in parentheses.