Resolution: 1.473→48.226 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.962 / SU B: 1.016 / SU ML: 0.038 / Cross valid method: THROUGHOUT / ESU R: 0.057 / ESU R Free: 0.059 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.1765
5364
4.925 %
Rwork
0.1518
-
-
all
0.153
-
-
obs
-
108924
99.646 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parameters
Biso mean: 15.882 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.755 Å2
-0 Å2
0.026 Å2
2-
-
0.544 Å2
0 Å2
3-
-
-
0.198 Å2
Refinement step
Cycle: LAST / Resolution: 1.473→48.226 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4378
0
30
550
4958
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.014
0.013
4719
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
4476
X-RAY DIFFRACTION
r_angle_refined_deg
1.883
1.644
6425
X-RAY DIFFRACTION
r_angle_other_deg
1.51
1.579
10461
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.624
5
622
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.056
22.669
251
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
10.782
15
880
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.751
15
31
X-RAY DIFFRACTION
r_chiral_restr
0.096
0.2
647
X-RAY DIFFRACTION
r_gen_planes_refined
0.012
0.02
5315
X-RAY DIFFRACTION
r_gen_planes_other
0.003
0.02
942
X-RAY DIFFRACTION
r_nbd_refined
0.225
0.2
883
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.186
0.2
4157
X-RAY DIFFRACTION
r_nbtor_refined
0.167
0.2
2255
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.084
0.2
2093
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.174
0.2
369
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.058
0.2
4
X-RAY DIFFRACTION
r_metal_ion_refined
0.177
0.2
8
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.138
0.2
28
X-RAY DIFFRACTION
r_nbd_other
0.194
0.2
95
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.217
0.2
34
X-RAY DIFFRACTION
r_xyhbond_nbd_other
0.311
0.2
2
X-RAY DIFFRACTION
r_mcbond_it
1.467
1.419
2306
X-RAY DIFFRACTION
r_mcbond_other
1.463
1.418
2305
X-RAY DIFFRACTION
r_mcangle_it
2.069
2.127
2899
X-RAY DIFFRACTION
r_mcangle_other
2.071
2.128
2900
X-RAY DIFFRACTION
r_scbond_it
2.831
1.804
2413
X-RAY DIFFRACTION
r_scbond_other
2.805
1.803
2413
X-RAY DIFFRACTION
r_scangle_it
4.26
2.57
3493
X-RAY DIFFRACTION
r_scangle_other
4.252
2.57
3493
X-RAY DIFFRACTION
r_lrange_it
5.113
18.307
5316
X-RAY DIFFRACTION
r_lrange_other
5.072
17.836
5189
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.473-1.511
0.23
392
0.219
7478
X-RAY DIFFRACTION
98.1419
1.511-1.553
0.225
338
0.202
7421
X-RAY DIFFRACTION
99.4616
1.553-1.598
0.221
370
0.184
7189
X-RAY DIFFRACTION
99.0046
1.598-1.647
0.181
342
0.167
7074
X-RAY DIFFRACTION
99.7847
1.647-1.701
0.194
341
0.165
6786
X-RAY DIFFRACTION
99.8599
1.701-1.761
0.185
356
0.154
6591
X-RAY DIFFRACTION
99.9712
1.761-1.827
0.184
317
0.149
6397
X-RAY DIFFRACTION
99.9851
1.827-1.902
0.175
310
0.144
6149
X-RAY DIFFRACTION
100
1.902-1.986
0.166
342
0.142
5888
X-RAY DIFFRACTION
99.9839
1.986-2.083
0.164
302
0.138
5617
X-RAY DIFFRACTION
99.9156
2.083-2.196
0.167
279
0.14
5343
X-RAY DIFFRACTION
99.9111
2.196-2.329
0.163
259
0.132
5070
X-RAY DIFFRACTION
99.9625
2.329-2.49
0.161
256
0.131
4804
X-RAY DIFFRACTION
99.9408
2.49-2.689
0.167
235
0.134
4410
X-RAY DIFFRACTION
99.957
2.689-2.946
0.173
222
0.145
4141
X-RAY DIFFRACTION
99.9084
2.946-3.293
0.148
212
0.14
3696
X-RAY DIFFRACTION
99.9744
3.293-3.802
0.182
170
0.15
3273
X-RAY DIFFRACTION
99.7104
3.802-4.656
0.155
151
0.141
2805
X-RAY DIFFRACTION
99.7974
4.656-6.58
0.208
110
0.188
2180
X-RAY DIFFRACTION
99.7387
6.58-48.226
0.256
60
0.21
1248
X-RAY DIFFRACTION
98.941
+
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