Resolution: 1.31→18.71 Å / Cor.coef. Fo:Fc: 0.981 / Cor.coef. Fo:Fc free: 0.969 / SU B: 1.439 / SU ML: 0.027 / Cross valid method: THROUGHOUT / ESU R: 0.046 / ESU R Free: 0.046 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.15001
2204
5 %
RANDOM
Rwork
0.11206
-
-
-
obs
0.11395
41707
93.54 %
-
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: 10.723 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
-0 Å2
-0 Å2
2-
-
0.01 Å2
0 Å2
3-
-
-
-0.01 Å2
Refinement step
Cycle: LAST / Resolution: 1.31→18.71 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1488
0
26
462
1976
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.023
0.02
1658
X-RAY DIFFRACTION
r_bond_other_d
0.003
0.02
1470
X-RAY DIFFRACTION
r_angle_refined_deg
2.217
1.969
2278
X-RAY DIFFRACTION
r_angle_other_deg
4.021
3.002
3397
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.635
5
199
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
31.083
23.452
84
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.582
15
247
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.611
15
14
X-RAY DIFFRACTION
r_chiral_restr
0.156
0.2
260
X-RAY DIFFRACTION
r_gen_planes_refined
0.012
0.021
1881
X-RAY DIFFRACTION
r_gen_planes_other
0.013
0.02
385
X-RAY DIFFRACTION
r_rigid_bond_restr
17.997
3
3128
X-RAY DIFFRACTION
r_sphericity_free
65.048
5
59
X-RAY DIFFRACTION
r_sphericity_bonded
12.14
5
3495
LS refinement shell
Resolution: 1.31→1.344 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.219
161
-
Rwork
0.174
2696
-
obs
-
-
84.53 %
+
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