refinement {
  crystal_symmetry {
    unit_cell = 186.1689 98.1087 114.6869 90 90 90
    space_group = "I 2 2 2"
  }
  input {
    pdb {
      file_name = "/raidnet/xdata1/XXXX/XXXX_Selection_062709/XXXX-42272204_2_1/Refinement/to_refi.pdb"
    }
    xray_data {
      file_name = "/raidnet/xdata1/XXXX/XXXX_Selection_062709/XXXX-42272204_2_1/Refinement/XXXX-42272204_data.mtz"
      labels = "I-obs,SIGI-obs"
      r_free_flags {
        file_name = "/raidnet/xdata1/XXXX/XXXX_Selection_062709/XXXX-42272204_2_1/Refinement/XXXX-42272204_data.mtz"
        label = "R-free-flags"
        test_flag_value = 1
      }
    }
    monomers {
      file_name = "/raidnet/xdata1/XXXX/XXXX_Selection_062709/XXXX-42272204_2_1/Refinement/CSD.cif"
      file_name = "/raidnet/xdata1/XXXX/XXXX_Selection_062709/XXXX-42272204_2_1/Refinement/42272204.cif"
    }
  }
  output {
    prefix = "XXXX-42272204"
    serial = 5
    write_maps = True
  }
  electron_density_maps {
    map {
      mtz_label_amplitudes = "FOFCWT"
      mtz_label_phases = "PHFOFCWT"
      likelihood_weighted = True
      obs_factor = 1
      calc_factor = 1
      kicked = True
      fill_missing_f_obs_with_weighted_f_model = False
    }
    map {
      mtz_label_amplitudes = "2FOFCWT_no_fill"
      mtz_label_phases = "PH2FOFCWT_no_fill"
      likelihood_weighted = True
      obs_factor = 2
      calc_factor = 1
      kicked = True
      fill_missing_f_obs_with_weighted_f_model = False
    }
  }
  refine {
    strategy = *individual_sites individual_sites_real_space torsion_angles \
               *rigid_body *individual_adp group_adp tls *occupancies \
               group_anomalous
    sites {
      rigid_body = "chain A"
      rigid_body = "chain B"
      rigid_body = "chain C"
      rigid_body = "chain I"
    }
  }
  rigid_body {
    max_low_high_res_limit = 5
    number_of_zones = 2
  }
  ordered_solvent {
    output_chain_id = "W"
    h_bond_max = 4
  }
}
