                                                       CCHex2-AB-greg
                    Wavelength                                       
              Resolution range        47.31  - 1.903 (1.971  - 1.903)
                   Space group                               P 1 21 1
                     Unit cell  32.6756 94.6118 51.1156 90 91.7522 90
             Total reflections                         321327 (31423)
            Unique reflections                           24363 (2402)
                  Multiplicity                            13.2 (13.1)
              Completeness (%)                          99.86 (99.26)
               Mean I/sigma(I)                           11.57 (1.59)
               Wilson B-factor                                  29.29
                       R-merge                         0.114 (0.2568)
                        R-meas                        0.1189 (0.2673)
                         R-pim                       0.03329 (0.0735)
                         CC1/2                          0.997 (0.975)
                           CC*                          0.999 (0.994)
Reflections used in refinement                           24349 (2402)
   Reflections used for R-free                              1134 (95)
                        R-work                        0.1921 (0.2743)
                        R-free                        0.2185 (0.3311)
                      CC(work)                          0.956 (0.809)
                      CC(free)                          0.937 (0.645)
  Number of non-hydrogen atoms                                   2020
                macromolecules                                   1796
                       ligands                                    121
                       solvent                                    147
              Protein residues                                    272
                    RMS(bonds)                                  0.004
                   RMS(angles)                                   0.45
      Ramachandran favored (%)                                  99.60
      Ramachandran allowed (%)                                   0.40
     Ramachandran outliers (%)                                   0.00
          Rotamer outliers (%)                                   0.00
                    Clashscore                                   1.09
              Average B-factor                                  72.69
                macromolecules                                  71.58
                       ligands                                  93.15
                       solvent                                  75.63
          Number of TLS groups                                     12