Resolution: 2.9→10 Å / Data cutoff low absF: 5 / Cross valid method: FREE R Details: DURING THE REFINEMENT, 10% OF THE REFLECTIONS WERE SET ASIDE TO CALCULATE THE FREE R-FACTOR. THE LAST CYCLE, WHICH RESULTED IN AN R-FACTOR OF 22.9% AND A FREE R-FACTOR OF 30.3%, WAS THEN ...Details: DURING THE REFINEMENT, 10% OF THE REFLECTIONS WERE SET ASIDE TO CALCULATE THE FREE R-FACTOR. THE LAST CYCLE, WHICH RESULTED IN AN R-FACTOR OF 22.9% AND A FREE R-FACTOR OF 30.3%, WAS THEN REPEATED USING ALL THE REFLECTIONS FOR THE FINAL RESULTS.
Rfactor
Num. reflection
% reflection
Rwork
0.234
-
-
obs
0.234
9798
77.8 %
Rfree
-
-
10 %
Displacement parameters
Biso mean: 40.6 Å2
Refine analyze
Luzzati coordinate error obs: 0.34 Å
Refinement step
Cycle: LAST / Resolution: 2.9→10 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3432
0
0
0
3432
Refine LS restraints
Refine-ID
Type
Dev ideal
X-RAY DIFFRACTION
x_bond_d
0.014
X-RAY DIFFRACTION
x_bond_d_na
X-RAY DIFFRACTION
x_bond_d_prot
X-RAY DIFFRACTION
x_angle_d
X-RAY DIFFRACTION
x_angle_d_na
X-RAY DIFFRACTION
x_angle_d_prot
X-RAY DIFFRACTION
x_angle_deg
1.71
X-RAY DIFFRACTION
x_angle_deg_na
X-RAY DIFFRACTION
x_angle_deg_prot
X-RAY DIFFRACTION
x_dihedral_angle_d
24.23
X-RAY DIFFRACTION
x_dihedral_angle_d_na
X-RAY DIFFRACTION
x_dihedral_angle_d_prot
X-RAY DIFFRACTION
x_improper_angle_d
2.91
X-RAY DIFFRACTION
x_improper_angle_d_na
X-RAY DIFFRACTION
x_improper_angle_d_prot
X-RAY DIFFRACTION
x_mcbond_it
X-RAY DIFFRACTION
x_mcangle_it
X-RAY DIFFRACTION
x_scbond_it
X-RAY DIFFRACTION
x_scangle_it
LS refinement shell
Resolution: 2.9→3.03 Å / Total num. of bins used: 8
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