Table 1 X-ray diffraction data.
Wavelength | 1.000 |
Resolution range | 36.04–2.5 (2.589–2.5) |
Space group | P 1 |
Unit cell | 65.8, 65.4, 72.7; 71.3, 85.0, 68.4 |
Unique reflections | 33141 (2095) |
Multiplicity | 2.4 (1.4) |
Completeness (%) | 89.47 (56.85) |
Mean I/sigma(I) | 14.5 (1.3) |
Wilson B-factor | 53.58 |
Rmeas | 0.18 (0.65) |
Rpim | 0.10 (0.46) |
CC1/2 | (0.56) |
Reflections used in refinement | 33024 (2092) |
Reflections used for R-free | 1991 (126) |
R-work | 0.22 (0.33) |
R-free | 0.22 (0.35) |
Number of non-hydrogen atoms | 4707 |
  macromolecules | 4664 |
  Zn2+ | 16 |
  solvent | 27 |
Protein residues | 619 |
RMS(bonds) | 0.006 |
RMS(angles) | 1.00 |
Ramachandran favored (%) | 97.1 |
Ramachandran allowed (%) | 2.6 |
Ramachandran outliers (%) | 0.3 |
Rotamer outliers (%) | 0.59 |
Clashscore | 10 |
Average B-factor | 76.78 |
  macromolecules | 76.96 |
  ligands | 54.02 |
  solvent | 58.69 |
