Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.66→46.93 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.958 / Cross valid method: FREE R-VALUE / ESU R: 0.091 / ESU R Free: 0.09 Details: Hydrogens have been used if present in the input file
Rfactor
Num. reflection
% reflection
Rfree
0.2103
2939
4.792 %
Rwork
0.1832
58394
-
all
0.185
-
-
obs
-
61333
99.45 %
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: 38.695 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-2.74 Å2
-0 Å2
0.127 Å2
2-
-
2.546 Å2
0 Å2
3-
-
-
0.188 Å2
Refinement step
Cycle: LAST / Resolution: 1.66→46.93 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3305
0
37
364
3706
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.012
3438
X-RAY DIFFRACTION
r_bond_other_d
0.025
0.016
3128
X-RAY DIFFRACTION
r_angle_refined_deg
1.342
1.846
4628
X-RAY DIFFRACTION
r_angle_other_deg
1.911
1.797
7141
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.793
5
416
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
0.61
5
15
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.704
10
592
X-RAY DIFFRACTION
r_dihedral_angle_other_3_deg
0.026
10
12
X-RAY DIFFRACTION
r_dihedral_angle_6_deg
16.922
10
164
X-RAY DIFFRACTION
r_chiral_restr
0.058
0.2
476
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
3968
X-RAY DIFFRACTION
r_gen_planes_other
0
0.02
812
X-RAY DIFFRACTION
r_nbd_refined
0.216
0.2
827
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.194
0.2
2954
X-RAY DIFFRACTION
r_nbtor_refined
0.197
0.2
1720
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.101
0.2
1746
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.225
0.2
231
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.022
0.2
2
X-RAY DIFFRACTION
r_metal_ion_refined
0.061
0.2
4
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.307
0.2
22
X-RAY DIFFRACTION
r_nbd_other
0.19
0.2
88
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.417
0.2
26
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
0.023
0.2
1
X-RAY DIFFRACTION
r_mcbond_it
3.471
3.256
1649
X-RAY DIFFRACTION
r_mcbond_other
3.479
3.256
1649
X-RAY DIFFRACTION
r_mcangle_it
4.274
5.821
2058
X-RAY DIFFRACTION
r_mcangle_other
4.277
5.822
2059
X-RAY DIFFRACTION
r_scbond_it
5.278
3.659
1789
X-RAY DIFFRACTION
r_scbond_other
5.282
3.66
1790
X-RAY DIFFRACTION
r_scangle_it
6.985
6.527
2566
X-RAY DIFFRACTION
r_scangle_other
6.984
6.528
2567
X-RAY DIFFRACTION
r_lrange_it
7.212
36.045
4195
X-RAY DIFFRACTION
r_lrange_other
7.219
35.789
4116
LS refinement shell
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Rfactor all
Num. reflection all
Fsc free
Fsc work
% reflection obs (%)
WRfactor Rwork
1.66-1.703
0.279
191
0.277
4315
0.278
4525
0.913
0.919
99.5801
0.247
1.703-1.75
0.267
207
0.26
4203
0.26
4418
0.936
0.932
99.8189
0.223
1.75-1.8
0.273
205
0.236
4096
0.238
4308
0.934
0.946
99.8375
0.2
1.8-1.856
0.247
191
0.228
3971
0.229
4176
0.954
0.954
99.6648
0.193
1.856-1.916
0.267
214
0.211
3791
0.214
4019
0.95
0.964
99.6516
0.18
1.916-1.984
0.234
155
0.207
3777
0.208
3941
0.964
0.967
99.7716
0.175
1.984-2.058
0.243
174
0.193
3615
0.196
3795
0.959
0.972
99.8419
0.166
2.058-2.142
0.2
181
0.184
3473
0.185
3659
0.975
0.976
99.8633
0.162
2.142-2.237
0.204
182
0.176
3319
0.178
3505
0.973
0.979
99.8859
0.158
2.237-2.346
0.22
154
0.18
3173
0.182
3335
0.966
0.978
99.7601
0.167
2.346-2.473
0.198
172
0.176
2995
0.177
3175
0.976
0.979
99.748
0.166
2.473-2.622
0.25
141
0.187
2863
0.189
3011
0.963
0.977
99.7675
0.178
2.622-2.803
0.233
130
0.183
2704
0.185
2850
0.965
0.977
99.4386
0.18
2.803-3.026
0.186
113
0.178
2515
0.179
2639
0.976
0.979
99.5832
0.183
3.026-3.314
0.206
123
0.185
2284
0.186
2430
0.975
0.979
99.0535
0.194
3.314-3.703
0.177
110
0.164
2077
0.165
2218
0.984
0.984
98.6023
0.178
3.703-4.271
0.196
84
0.145
1824
0.147
1952
0.975
0.987
97.7459
0.166
4.271-5.22
0.195
106
0.158
1516
0.161
1666
0.977
0.985
97.3589
0.189
5.22-7.337
0.242
55
0.225
1221
0.226
1302
0.967
0.973
98.0031
0.26
7.337-46.93
0.188
51
0.197
662
0.196
746
0.974
0.975
95.5764
0.243
+
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