Protein engineering with artificial chemical nucleases.
Larragy, Ruth; Fitzgerald, Jenny; Prisecaru, Andreea; McKee, Vickie; Leonard, Paul; Kellett, Andrew; Chemical communications (Cambridge, England) 51 (2015) 12908–12911; doi:10.1039/c5cc04615g

data_7117599
_publ_section_title
;
 Protein engineering with artificial chemical nucleases.
;
_journal_issue                   65
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12908
_journal_page_last               12911
_journal_paper_doi               10.1039/c5cc04615g
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C24 H18 Cu N4 O, 2(N O3)'
_chemical_formula_sum            'C24 H18 Cu N6 O7'
_chemical_formula_weight         565.98
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-05-29 deposited with the CCDC.
2015-07-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_measurement_temperature    150(2)
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL, Mercury'
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX 2 CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0182
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_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       9
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_diffrn_reflns_limit_l_max       26
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
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_exptl_absorpt_process_details   'SADABS v2012/1, Sheldrick, G.M., (2012)'
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_exptl_crystal_description       lozenge
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0413P)^2^+2.0021P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0801
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_reflns_number_gt                2884
_reflns_number_total             3092
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        2224.7(4)
_cod_database_code               7117599
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_shelx_estimated_absorpt_t_max   0.912
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_shelx_res_checksum              56276
_shelx_hkl_checksum              95711