Effect of 3-Hydroxyproline Residues on Collagen Stability
Cara L. Jenkins; Lynn E. Bretscher; Ilia A. Guzei; Ronald T. Raines; Journal of the American Chemical Society 125 (2003) 6422–6427; doi:10.1021/ja034015j

data_4113764
_publ_section_title
;
 Effect of 3-Hydroxyproline Residues on Collagen Stability
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6422
_journal_page_last               6427
_journal_paper_doi               10.1021/ja034015j
_journal_volume                  125
_journal_year                    2003
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.1545(6)
_cell_length_b                   8.3050(9)
_cell_length_c                   20.807(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1063.51(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -8
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_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
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_exptl_absorpt_coefficient_mu    0.107
_exptl_absorpt_correction_T_max  0.9576
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_exptl_crystal_density_diffrn    1.282
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.41
_refine_diff_density_max         0.172
_refine_diff_density_min         -0.146
_refine_diff_density_rms         0.037
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.7(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     138
_refine_ls_number_reflns         1963
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_refine_ls_R_factor_all          0.0401
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0560P)^2^+0.1890P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
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_cod_original_cell_volume        1063.53(19)
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