Resolution: 1.19→50 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.963 / SU B: 1.078 / SU ML: 0.023 / Cross valid method: THROUGHOUT / ESU R: 0.047 / ESU R Free: 0.04 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.1732
1851
5 %
RANDOM
Rwork
0.16428
-
-
-
obs
0.16472
35221
99.96 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parameters
Biso mean: 10.551 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.05 Å2
0 Å2
0 Å2
2-
-
-0.05 Å2
0 Å2
3-
-
-
0.09 Å2
Refinement step
Cycle: LAST / Resolution: 1.19→50 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
992
0
53
148
1193
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.007
0.021
1202
X-RAY DIFFRACTION
r_angle_refined_deg
1.228
1.954
1644
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.541
5
151
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.301
22.586
58
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.325
15
188
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.826
15
15
X-RAY DIFFRACTION
r_chiral_restr
0.091
0.2
174
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.021
941
X-RAY DIFFRACTION
r_mcbond_it
0.793
1.5
711
X-RAY DIFFRACTION
r_mcangle_it
1.322
2
1146
X-RAY DIFFRACTION
r_scbond_it
1.726
3
491
X-RAY DIFFRACTION
r_scangle_it
2.64
4.5
498
X-RAY DIFFRACTION
r_rigid_bond_restr
0.891
3
1202
X-RAY DIFFRACTION
r_sphericity_free
3.353
3
148
X-RAY DIFFRACTION
r_sphericity_bonded
2.859
3
1163
LS refinement shell
Resolution: 1.19→1.221 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.186
130
-
Rwork
0.151
2553
-
obs
-
-
99.78 %
+
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