Resolution: 1.7→37.556 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.946 / Cross valid method: THROUGHOUT / ESU R: 0.12 / ESU R Free: 0.108 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2052
795
4.843 %
Rwork
0.1799
-
-
all
0.181
-
-
obs
-
16416
99.903 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parameters
Biso mean: 21.033 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.639 Å2
0 Å2
0 Å2
2-
-
-0.581 Å2
0 Å2
3-
-
-
-0.058 Å2
Refinement step
Cycle: LAST / Resolution: 1.7→37.556 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1312
0
4
140
1456
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.013
0.013
1324
X-RAY DIFFRACTION
r_bond_other_d
0.036
0.018
1216
X-RAY DIFFRACTION
r_angle_refined_deg
1.805
1.653
1775
X-RAY DIFFRACTION
r_angle_other_deg
2.391
1.593
2831
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.57
5
163
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
28.987
24.177
79
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.224
15
254
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.576
15
8
X-RAY DIFFRACTION
r_chiral_restr
0.1
0.2
174
X-RAY DIFFRACTION
r_gen_planes_refined
0.011
0.02
1504
X-RAY DIFFRACTION
r_gen_planes_other
0.017
0.02
264
X-RAY DIFFRACTION
r_nbd_refined
0.235
0.2
371
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.21
0.2
1129
X-RAY DIFFRACTION
r_nbtor_refined
0.169
0.2
677
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.063
0.2
533
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.153
0.2
84
X-RAY DIFFRACTION
r_metal_ion_refined
0.104
0.2
17
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.282
0.2
13
X-RAY DIFFRACTION
r_nbd_other
0.241
0.2
53
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.197
0.2
27
X-RAY DIFFRACTION
r_mcbond_it
1.98
1.972
658
X-RAY DIFFRACTION
r_mcbond_other
1.978
1.971
657
X-RAY DIFFRACTION
r_mcangle_it
2.707
2.951
819
X-RAY DIFFRACTION
r_mcangle_other
2.708
2.951
820
X-RAY DIFFRACTION
r_scbond_it
3.044
2.384
666
X-RAY DIFFRACTION
r_scbond_other
3.039
2.383
666
X-RAY DIFFRACTION
r_scangle_it
4.61
3.424
956
X-RAY DIFFRACTION
r_scangle_other
4.605
3.423
956
X-RAY DIFFRACTION
r_lrange_it
5.783
25.085
1641
X-RAY DIFFRACTION
r_lrange_other
5.781
25.078
1642
LS refinement shell
Resolution (Å)
Num. reflection Rfree
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.7-1.744
45
1148
X-RAY DIFFRACTION
99.0864
1.744-1.791
58
1079
X-RAY DIFFRACTION
100
1.791-1.843
63
1079
X-RAY DIFFRACTION
100
1.843-1.9
57
1042
X-RAY DIFFRACTION
100
1.9-1.962
57
998
X-RAY DIFFRACTION
100
1.962-2.031
50
978
X-RAY DIFFRACTION
100
2.031-2.107
51
967
X-RAY DIFFRACTION
100
2.107-2.193
42
909
X-RAY DIFFRACTION
99.7901
2.193-2.29
45
873
X-RAY DIFFRACTION
99.8912
2.29-2.401
46
843
X-RAY DIFFRACTION
100
2.401-2.531
44
812
X-RAY DIFFRACTION
99.8833
2.531-2.684
38
755
X-RAY DIFFRACTION
100
2.684-2.868
29
741
X-RAY DIFFRACTION
100
2.868-3.097
21
682
X-RAY DIFFRACTION
100
3.097-3.391
44
614
X-RAY DIFFRACTION
100
3.391-3.788
21
580
X-RAY DIFFRACTION
100
3.788-4.368
29
511
X-RAY DIFFRACTION
100
4.368-5.335
26
438
X-RAY DIFFRACTION
100
5.335-7.483
19
348
X-RAY DIFFRACTION
100
7.483-37.556
10
224
X-RAY DIFFRACTION
100
+
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