Resolution: 2.05→43.36 Å / SU ML: 0.29 / σ(F): 1.81 / Phase error: 28.56 / Stereochemistry target values: ML Details: RESIDUES 2-263 ARE VISIBLE IN THE ELECTRON DENSITY, EXCEPT FOR RESIDUES 209-216, WHICH ARE DISORDERED
Rfactor
Num. reflection
% reflection
Rfree
0.2363
1376
5 %
Rwork
0.1998
-
-
obs
0.2017
27399
99.63 %
Solvent computation
Shrinkage radii: 0.89 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 38.055 Å2 / ksol: 0.355 e/Å3
Displacement parameters
Biso mean: 62.54 Å2
Baniso -1
Baniso -2
Baniso -3
1-
9.6647 Å2
0 Å2
0 Å2
2-
-
9.6647 Å2
0 Å2
3-
-
-
-19.3293 Å2
Refinement step
Cycle: LAST / Resolution: 2.05→43.36 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2043
0
3
110
2156
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.007
2106
X-RAY DIFFRACTION
f_angle_d
0.913
2855
X-RAY DIFFRACTION
f_dihedral_angle_d
13.467
792
X-RAY DIFFRACTION
f_chiral_restr
0.054
298
X-RAY DIFFRACTION
f_plane_restr
0.005
372
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.0499-2.1232
0.3494
146
0.3058
2554
X-RAY DIFFRACTION
99
2.1232-2.2082
0.33
132
0.2838
2527
X-RAY DIFFRACTION
99
2.2082-2.3087
0.3123
130
0.2597
2583
X-RAY DIFFRACTION
100
2.3087-2.4304
0.2996
132
0.24
2564
X-RAY DIFFRACTION
99
2.4304-2.5827
0.2642
133
0.2339
2585
X-RAY DIFFRACTION
100
2.5827-2.782
0.2614
136
0.2223
2598
X-RAY DIFFRACTION
100
2.782-3.0619
0.2544
150
0.2231
2593
X-RAY DIFFRACTION
100
3.0619-3.5048
0.2628
138
0.2144
2601
X-RAY DIFFRACTION
100
3.5048-4.415
0.2018
146
0.1722
2647
X-RAY DIFFRACTION
100
4.415-43.3697
0.199
133
0.1713
2771
X-RAY DIFFRACTION
100
Refinement TLS params.
Method: refined / Refine-ID: X-RAY DIFFRACTION
ID
L11 (°2)
L12 (°2)
L13 (°2)
L22 (°2)
L23 (°2)
L33 (°2)
S11 (Å °)
S12 (Å °)
S13 (Å °)
S21 (Å °)
S22 (Å °)
S23 (Å °)
S31 (Å °)
S32 (Å °)
S33 (Å °)
T11 (Å2)
T12 (Å2)
T13 (Å2)
T22 (Å2)
T23 (Å2)
T33 (Å2)
Origin x (Å)
Origin y (Å)
Origin z (Å)
1
1.6133
0.2868
0.756
0.2332
0.2824
1.0704
-0.0127
0.2688
0.0231
0.1017
-0.0706
0.0852
-0.2199
0.2952
0
0.4206
-0.0757
-0.0189
0.392
0.014
0.3998
-8.9131
47.3973
-4.0034
2
0.0967
-0.0044
0.0432
0.0319
0.0125
0.0232
-0.7415
0.1754
-0.0467
0.2776
-0.0673
0.8561
-0.3216
-0.0964
-0.0001
0.7239
0.0662
0.2427
0.5312
0.0402
0.6086
-19.8418
54.5165
12.782
3
0.8793
0.1944
-0.2461
0.272
-0.2861
0.2522
0.0288
0.0483
0.0237
0.1352
0.021
0.0125
0.0714
0.293
0
0.4039
-0.0635
-0.0092
0.3699
0.0229
0.3583
-6.0813
43.985
5.5365
4
0.252
-0.0995
-0.2288
0.1809
-0.0159
0.2222
-0.0254
-0.026
-0.1171
0.1336
0.1823
-0.2472
0.2889
0.6313
-0
0.5627
0.0931
-0.0724
0.6552
-0.0396
0.482
1.1699
33.8816
-2.9083
5
0.0604
0.0649
-0.007
0.0393
-0.0299
0.0035
-0.0587
-0.3627
-0.5213
0.0955
0.5303
-0.0462
-0.7051
-0.0805
0.0001
0.405
-0.1234
-0.0614
0.7177
-0.0045
0.5286
3.6118
46.8515
7.8186
6
0.3448
0.0182
-0.159
0.6754
-0.2671
0.1525
0.2298
-0.0298
-0.1648
0.4876
-0.0421
-0.1146
0.6233
0.2498
0.0001
0.6258
-0.0577
-0.0571
0.4196
0.0344
0.4628
-9.3128
29.1132
7.6434
7
0.0107
0.0066
0.0133
-0.0056
0.0221
0.0563
-0.4138
0.1807
-0.7904
0.8859
-0.3697
0.5784
0.3116
0.0697
0.0002
0.8034
-0.1084
0.0519
0.5179
-0.0175
0.4578
-10.0493
40.9664
23.0993
8
0.0998
0.0977
0.1221
0.069
-0.0347
0.1023
0.1266
-0.0696
0.0749
0.2771
0.1025
0.0288
0.2733
-0.1146
-0.0001
0.4269
-0.1058
-0.006
0.3681
0.0043
0.4006
-17.7391
35.0635
4.7884
9
0.0537
0.0424
0.0648
0.0834
-0.0059
0.0824
0.2465
0.2585
-0.2969
-0.1135
-0.2639
0.1933
0.3597
-0.2986
-0.0001
0.6265
-0.145
-0.0051
0.6624
-0.0363
0.6911
-30.6019
31.7066
-1.0868
10
0.6432
-0.1747
0.1548
0.2183
-0.0271
0.0888
0.1286
-0.135
0.2121
0.2197
-0.1555
0.1101
-0.1425
-0.0923
0
0.3934
-0.0462
0.0278
0.4513
-0.0463
0.4168
-22.422
40.4974
3.4476
11
0.0489
0.0295
-0.0498
0.0011
-0.0093
0.046
-0.5806
-0.4719
0.2156
-0.1875
0.5999
-0.1303
0.4178
-0.0581
-0.0002
0.6814
-0.1876
0.1259
0.6312
0.059
0.5043
-22.7449
31.9448
16.4169
12
0.0467
0.3909
0.2962
0.6353
-0.0089
0.6452
-0.0015
0.1807
0.006
0.1026
0.153
-0.1256
0.2093
-0.1922
0.0001
0.3595
-0.0134
-0.0448
0.4489
-0.0224
0.4352
-18.7894
41.7584
-6.6113
13
0.0394
-0.0167
0.0641
-0.0122
0.0045
0.046
-0.5096
-0.3269
0.4967
-0.5317
-0.7219
0.0709
0.4314
0.073
-0.0019
0.5444
-0.1088
-0.0933
0.5585
0.0106
0.5484
-16.2308
41.8154
-20.1703
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Selection details
1
X-RAY DIFFRACTION
1
(CHAINAANDRESID2:52)
2
X-RAY DIFFRACTION
2
(CHAINAANDRESID53:57)
3
X-RAY DIFFRACTION
3
(CHAINAANDRESID58:94)
4
X-RAY DIFFRACTION
4
(CHAINAANDRESID95:111)
5
X-RAY DIFFRACTION
5
(CHAINAANDRESID112:121)
6
X-RAY DIFFRACTION
6
(CHAINAANDRESID122:154)
7
X-RAY DIFFRACTION
7
(CHAINAANDRESID155:161)
8
X-RAY DIFFRACTION
8
(CHAINAANDRESID162:185)
9
X-RAY DIFFRACTION
9
(CHAINAANDRESID186:192)
10
X-RAY DIFFRACTION
10
(CHAINAANDRESID193:217)
11
X-RAY DIFFRACTION
11
(CHAINAANDRESID218:224)
12
X-RAY DIFFRACTION
12
(CHAINAANDRESID225:255)
13
X-RAY DIFFRACTION
13
(CHAINAANDRESID256:263)
+
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