Table 1:
PDB | 6DHT |
Wavelength (nm) | 0.979 |
Resolution range (Å) | 44.74 - 1.42 (1.47 - 1.42) |
Space group | C2 |
Unit cell (Å) | a = 130.65 b = 50.41, c = 95.98, β = 109° |
Total reflections | 731375 (48647) |
Unique reflections | 109840 (9432) |
Multiplicity | 6.7 (5.2) |
Completeness (%) | 98.30 (84.59) |
Mean I/sigma(I) | 21.0 (2.1) |
Wilson B-factor | 16.0 |
Rmerqe | 0.081 (0.59) |
Rmeas | 0.088 |
CC1/2 | 0.996 (0.841) |
CC* | 0.999 (0.956) |
Reflections used for Rfree | 1898 |
Rwork | 0.167 (0.28) |
Rfree | 0.197 (0.31) |
Number of non-hydrogen atoms | 4957 |
macromolecules | 4344 |
ligands | 87 |
water | 526 |
Protein residues | 547 |
RMS(bonds) | 0.009 |
RMS(angles) | 1.28 |
Ramachandran favored (%) | 96 |
Ramachandran outliers (%) | 0.18 |
Clashscore | 3.22 |
Average B-factor | |
all atoms | 23.6 |
macromolecules | 22.3 |
ligands | 33.8 |
solvent | 33.4 |
Parentheses indicate statistics for the highest resolution shell.