Resolution: 1.33→60.932 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.969 / SU B: 0.965 / SU ML: 0.038 / Cross valid method: THROUGHOUT / ESU R: 0.05 / ESU R Free: 0.052 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.1947
14422
4.961 %
RANDOM
Rwork
0.174
276302
-
-
all
0.175
-
-
-
obs
0.175
290724
99.863 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL PLUS MASK
Displacement parameters
Biso mean: 17.368 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0 Å2
-0 Å2
0 Å2
2-
-
0 Å2
-0 Å2
3-
-
-
-0 Å2
Refinement step
Cycle: LAST / Resolution: 1.33→60.932 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
8264
0
369
1292
9925
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.011
0.012
9496
X-RAY DIFFRACTION
r_angle_refined_deg
1.789
1.633
12939
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.683
5
1234
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
28.42
21.538
468
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.352
15
1495
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.573
15
67
X-RAY DIFFRACTION
r_chiral_restr
0.117
0.2
1185
X-RAY DIFFRACTION
r_gen_planes_refined
0.014
0.02
7490
X-RAY DIFFRACTION
r_nbd_refined
0.223
0.2
4846
X-RAY DIFFRACTION
r_nbtor_refined
0.318
0.2
6215
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.181
0.2
1088
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.234
0.2
62
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.147
0.2
47
X-RAY DIFFRACTION
r_mcbond_it
1.261
1.415
4705
X-RAY DIFFRACTION
r_mcangle_it
1.781
2.125
6004
X-RAY DIFFRACTION
r_scbond_it
2.617
1.687
4791
X-RAY DIFFRACTION
r_scangle_it
3.649
2.425
6931
X-RAY DIFFRACTION
r_lrange_it
5.251
21.275
15443
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.051
0.05
19144
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.33-1.365
0.352
1060
0.342
20184
X-RAY DIFFRACTION
99.7371
1.365-1.402
0.311
1059
0.309
19761
X-RAY DIFFRACTION
99.8801
1.402-1.443
0.29
1047
0.28
19161
X-RAY DIFFRACTION
99.8913
1.443-1.487
0.27
1034
0.253
18624
X-RAY DIFFRACTION
99.9085
1.487-1.536
0.226
953
0.221
18149
X-RAY DIFFRACTION
99.838
1.536-1.589
0.229
900
0.203
17478
X-RAY DIFFRACTION
99.8479
1.589-1.649
0.201
862
0.182
17016
X-RAY DIFFRACTION
99.8994
1.649-1.717
0.192
812
0.164
16286
X-RAY DIFFRACTION
99.8248
1.717-1.793
0.176
824
0.155
15677
X-RAY DIFFRACTION
99.891
1.793-1.88
0.168
756
0.15
14975
X-RAY DIFFRACTION
99.816
1.88-1.982
0.17
725
0.149
14310
X-RAY DIFFRACTION
99.8473
1.982-2.102
0.174
669
0.156
13543
X-RAY DIFFRACTION
99.8735
2.102-2.247
0.172
659
0.154
12717
X-RAY DIFFRACTION
99.8805
2.247-2.427
0.167
590
0.15
11914
X-RAY DIFFRACTION
99.8563
2.427-2.658
0.185
550
0.159
10975
X-RAY DIFFRACTION
99.9306
2.658-2.971
0.181
571
0.158
9891
X-RAY DIFFRACTION
99.9522
2.971-3.429
0.177
483
0.154
8798
X-RAY DIFFRACTION
99.8816
3.429-4.197
0.158
387
0.137
7537
X-RAY DIFFRACTION
99.9117
4.197-5.921
0.17
299
0.15
5881
X-RAY DIFFRACTION
99.8546
+
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