Resolution: 1.96→27.53 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.949 / SU B: 2.937 / SU ML: 0.084 / Cross valid method: THROUGHOUT / ESU R: 0.149 / ESU R Free: 0.136 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19177
2308
5.1 %
RANDOM
Rwork
0.14916
-
-
-
all
0.15138
45625
-
-
obs
0.15138
43256
98.33 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parameters
Biso mean: 20.527 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0 Å2
-0 Å2
0 Å2
2-
-
0 Å2
-0 Å2
3-
-
-
-0 Å2
Refinement step
Cycle: LAST / Resolution: 1.96→27.53 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4776
0
197
417
5390
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.02
0.019
5071
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
4844
X-RAY DIFFRACTION
r_angle_refined_deg
2.01
2.025
6866
X-RAY DIFFRACTION
r_angle_other_deg
0.988
3.002
11162
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.659
5
624
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
38.439
24.059
202
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.798
15
808
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.842
15
26
X-RAY DIFFRACTION
r_chiral_restr
0.115
0.2
757
X-RAY DIFFRACTION
r_gen_planes_refined
0.012
0.021
5634
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
1104
LS refinement shell
Resolution: 1.956→2.007 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.215
142
-
Rwork
0.168
2819
-
obs
-
-
87.14 %
+
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