Resolution: 1.25→55.564 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.95 / SU B: 0.874 / SU ML: 0.038 / Cross valid method: THROUGHOUT / ESU R: 0.051 / ESU R Free: 0.056 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2179
1606
4.922 %
Rwork
0.1824
31026
-
all
0.184
-
-
obs
-
32632
99.841 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT
Displacement parameters
Biso mean: 19.592 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.073 Å2
0 Å2
0 Å2
2-
-
-0.073 Å2
0 Å2
3-
-
-
0.145 Å2
Refinement step
Cycle: LAST / Resolution: 1.25→55.564 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1001
0
59
140
1200
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.017
0.013
1140
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.018
991
X-RAY DIFFRACTION
r_angle_refined_deg
2.358
1.694
1538
X-RAY DIFFRACTION
r_angle_other_deg
1.638
1.615
2291
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.395
5
135
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.453
20.299
67
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.41
15
183
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.216
15
13
X-RAY DIFFRACTION
r_chiral_restr
0.198
0.2
139
X-RAY DIFFRACTION
r_gen_planes_refined
0.013
0.02
1294
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
263
X-RAY DIFFRACTION
r_nbd_refined
0.234
0.2
262
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.221
0.2
955
X-RAY DIFFRACTION
r_nbtor_refined
0.18
0.2
530
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.093
0.2
457
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.214
0.2
91
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.262
0.2
16
X-RAY DIFFRACTION
r_nbd_other
0.271
0.2
36
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.139
0.2
18
X-RAY DIFFRACTION
r_mcbond_it
1.542
1.733
536
X-RAY DIFFRACTION
r_mcbond_other
1.475
1.716
533
X-RAY DIFFRACTION
r_mcangle_it
2.034
2.586
671
X-RAY DIFFRACTION
r_mcangle_other
2.054
2.59
672
X-RAY DIFFRACTION
r_scbond_it
3.06
2.164
604
X-RAY DIFFRACTION
r_scbond_other
3.058
2.165
605
X-RAY DIFFRACTION
r_scangle_it
4.631
3.129
866
X-RAY DIFFRACTION
r_scangle_other
4.628
3.131
867
X-RAY DIFFRACTION
r_lrange_it
6.151
22.276
1501
X-RAY DIFFRACTION
r_lrange_other
6.154
22.283
1502
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.25-1.282
0.343
124
0.303
2229
X-RAY DIFFRACTION
99.1572
1.282-1.318
0.342
97
0.287
2215
X-RAY DIFFRACTION
99.9136
1.318-1.356
0.359
121
0.286
2130
X-RAY DIFFRACTION
99.8669
1.356-1.397
0.339
119
0.269
2051
X-RAY DIFFRACTION
99.9079
1.397-1.443
0.327
105
0.251
2031
X-RAY DIFFRACTION
100
1.443-1.494
0.23
93
0.23
1958
X-RAY DIFFRACTION
99.9513
1.494-1.55
0.222
96
0.222
1903
X-RAY DIFFRACTION
99.95
1.55-1.613
0.241
96
0.202
1821
X-RAY DIFFRACTION
99.7918
1.613-1.685
0.272
96
0.198
1734
X-RAY DIFFRACTION
99.7819
1.685-1.767
0.243
86
0.195
1688
X-RAY DIFFRACTION
99.8312
1.767-1.863
0.24
72
0.187
1609
X-RAY DIFFRACTION
99.7626
1.863-1.976
0.189
85
0.172
1505
X-RAY DIFFRACTION
99.9371
1.976-2.112
0.18
80
0.173
1434
X-RAY DIFFRACTION
100
2.112-2.281
0.191
65
0.155
1328
X-RAY DIFFRACTION
99.7137
2.281-2.498
0.142
68
0.142
1242
X-RAY DIFFRACTION
99.9237
2.498-2.792
0.161
55
0.157
1142
X-RAY DIFFRACTION
100
2.792-3.223
0.183
49
0.151
1006
X-RAY DIFFRACTION
100
3.223-3.944
0.225
41
0.147
873
X-RAY DIFFRACTION
99.8907
3.944-5.563
0.203
35
0.168
696
X-RAY DIFFRACTION
100
+
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