Resolution: 2.8→53.546 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.89 / SU B: 17.06 / SU ML: 0.335 / Cross valid method: FREE R-VALUE / ESU R Free: 0.462 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2669
231
10.022 %
Rwork
0.2308
2074
-
all
0.234
-
-
obs
-
2305
99.353 %
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: 61.244 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.548 Å2
-0.774 Å2
-0 Å2
2-
-
-1.548 Å2
0 Å2
3-
-
-
5.021 Å2
Refinement step
Cycle: LAST / Resolution: 2.8→53.546 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
734
0
0
2
736
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.002
0.013
746
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
696
X-RAY DIFFRACTION
r_angle_refined_deg
1.234
1.628
1017
X-RAY DIFFRACTION
r_angle_other_deg
1.04
1.566
1614
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.762
5
99
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.714
25.517
29
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.204
15
115
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
10.332
15
1
X-RAY DIFFRACTION
r_chiral_restr
0.03
0.2
110
X-RAY DIFFRACTION
r_gen_planes_refined
0.002
0.02
845
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
138
X-RAY DIFFRACTION
r_nbd_refined
0.168
0.2
137
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.161
0.2
625
X-RAY DIFFRACTION
r_nbtor_refined
0.141
0.2
359
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.106
0.2
345
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.073
0.2
14
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.1
0.2
12
X-RAY DIFFRACTION
r_nbd_other
0.162
0.2
29
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.219
0.2
6
X-RAY DIFFRACTION
r_mcbond_it
2.205
6.624
399
X-RAY DIFFRACTION
r_mcbond_other
2.194
6.621
398
X-RAY DIFFRACTION
r_mcangle_it
3.867
9.928
497
X-RAY DIFFRACTION
r_mcangle_other
3.867
9.93
498
X-RAY DIFFRACTION
r_scbond_it
1.79
6.833
347
X-RAY DIFFRACTION
r_scbond_other
1.785
6.83
346
X-RAY DIFFRACTION
r_scangle_it
3.213
10.168
520
X-RAY DIFFRACTION
r_scangle_other
3.214
10.167
520
X-RAY DIFFRACTION
r_lrange_it
6.299
80.42
755
X-RAY DIFFRACTION
r_lrange_other
6.303
80.337
754
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
2.8-2.87
0.284
16
0.293
145
0.292
168
0.815
0.861
95.8333
0.274
2.87-2.949
0.31
17
0.314
149
0.314
166
0.844
0.863
100
0.29
2.949-3.034
0.276
15
0.248
139
0.251
154
0.904
0.878
100
0.215
3.034-3.127
0.288
16
0.282
145
0.283
161
0.9
0.887
100
0.247
3.127-3.229
0.268
15
0.275
135
0.274
150
0.911
0.88
100
0.239
3.229-3.342
0.309
14
0.288
127
0.29
141
0.886
0.909
100
0.257
3.342-3.468
0.203
15
0.23
131
0.227
146
0.923
0.927
100
0.199
3.468-3.608
0.251
14
0.285
121
0.282
137
0.918
0.907
98.5401
0.222
3.608-3.768
0.324
12
0.267
115
0.272
130
0.835
0.908
97.6923
0.234
3.768-3.951
0.199
13
0.224
112
0.221
125
0.94
0.925
100
0.202
3.951-4.164
0.293
12
0.249
108
0.254
122
0.91
0.92
98.3607
0.219
4.164-4.414
0.267
11
0.168
105
0.175
116
0.915
0.954
100
0.159
4.414-4.717
0.247
11
0.181
98
0.188
109
0.922
0.953
100
0.169
4.717-5.092
0.296
10
0.191
87
0.202
97
0.904
0.947
100
0.187
5.092-5.573
0.203
9
0.246
83
0.241
92
0.922
0.915
100
0.223
5.573-6.222
0.575
9
0.301
77
0.326
86
0.795
0.883
100
0.281
6.222-7.168
0.342
7
0.241
63
0.254
71
0.794
0.887
98.5915
0.217
7.168-8.74
0.259
6
0.167
60
0.175
66
0.928
0.963
100
0.176
8.74-12.199
0.136
5
0.156
46
0.154
51
0.97
0.977
100
0.188
12.199-53.546
0.213
4
0.284
28
0.274
32
0.948
0.928
100
0.312
+
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