Software Name : REFMAC / Version : 5.8.0049 / Classification : refinementRefinement Resolution : 1.65→19.08 Å / Cor.coef. Fo :Fc : 0.953 / Cor.coef. Fo :Fc free : 0.938 / SU B : 2.519 / SU ML : 0.081 / Cross valid method : THROUGHOUT / ESU R : 0.111 / ESU R Free : 0.111 / Stereochemistry target values : MAXIMUM LIKELIHOOD / Details : HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONSRfactor Num. reflection % reflection Selection details Rfree 0.26294 132 4.5 % RANDOM Rwork 0.22517 - - - obs 0.22695 2772 99.73 % -
Solvent computation Ion probe radii : 0.8 Å / Shrinkage radii : 0.8 Å / VDW probe radii : 1.2 Å / Solvent model : MASKDisplacement parameters Biso mean : 23.524 Å2 Baniso -1 Baniso -2 Baniso -3 1- 0.01 Å2 0 Å2 -0 Å2 2- - 0.01 Å2 -0 Å2 3- - - -0.03 Å2
Refinement step Cycle : 1 / Resolution : 1.65→19.08 ÅProtein Nucleic acid Ligand Solvent Total Num. atoms 0 163 0 14 177
Refine LS restraints Show large table (5 x 38) Hide large table Refine-ID Type Dev ideal Dev ideal target Number X-RAY DIFFRACTION r_bond_refined_d0.014 0.011 182 X-RAY DIFFRACTION r_bond_other_d0.011 0.02 92 X-RAY DIFFRACTION r_angle_refined_deg1.929 1.176 279 X-RAY DIFFRACTION r_angle_other_deg4.252 3 216 X-RAY DIFFRACTION r_dihedral_angle_1_degX-RAY DIFFRACTION r_dihedral_angle_2_degX-RAY DIFFRACTION r_dihedral_angle_3_degX-RAY DIFFRACTION r_dihedral_angle_4_degX-RAY DIFFRACTION r_chiral_restr0.127 0.2 25 X-RAY DIFFRACTION r_gen_planes_refined0.025 0.02 96 X-RAY DIFFRACTION r_gen_planes_other0.004 0.02 42 X-RAY DIFFRACTION r_nbd_refinedX-RAY DIFFRACTION r_nbd_otherX-RAY DIFFRACTION r_nbtor_refinedX-RAY DIFFRACTION r_nbtor_otherX-RAY DIFFRACTION r_xyhbond_nbd_refinedX-RAY DIFFRACTION r_xyhbond_nbd_otherX-RAY DIFFRACTION r_metal_ion_refinedX-RAY DIFFRACTION r_metal_ion_otherX-RAY DIFFRACTION r_symmetry_vdw_refinedX-RAY DIFFRACTION r_symmetry_vdw_otherX-RAY DIFFRACTION r_symmetry_hbond_refinedX-RAY DIFFRACTION r_symmetry_hbond_otherX-RAY DIFFRACTION r_symmetry_metal_ion_refinedX-RAY DIFFRACTION r_symmetry_metal_ion_otherX-RAY DIFFRACTION r_mcbond_itX-RAY DIFFRACTION r_mcbond_otherX-RAY DIFFRACTION r_mcangle_itX-RAY DIFFRACTION r_mcangle_otherX-RAY DIFFRACTION r_scbond_it2.843 2.368 182 X-RAY DIFFRACTION r_scbond_other2.837 2.367 181 X-RAY DIFFRACTION r_scangle_itX-RAY DIFFRACTION r_scangle_other4.153 3.58 279 X-RAY DIFFRACTION r_long_range_B_refined4.977 22.513 248 X-RAY DIFFRACTION r_long_range_B_other4.79 22.287 241 X-RAY DIFFRACTION r_rigid_bond_restr