Resolution: 2.55→51.366 Å / σ(F): 1.99 / Phase error: 29.14 / Stereochemistry target values: TWIN_LSQ_F Details: RESIDUES 59-69 IN CHAIN A, 60-69 IN CHAIN B, 61-69 IN CHAIN C, 59-69 IN CHAIN D ARE DISORDERED.
Rfactor
Num. reflection
% reflection
Rfree
0.2504
653
5 %
Rwork
0.2241
-
-
obs
0.2257
13035
99.78 %
Solvent computation
Shrinkage radii: 0.95 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 85.545 Å2 / ksol: 0.354 e/Å3
Displacement parameters
Baniso -1
Baniso -2
Baniso -3
1-
15.3196 Å2
0 Å2
0 Å2
2-
-
15.3196 Å2
0 Å2
3-
-
-
-30.6393 Å2
Refinement step
Cycle: LAST / Resolution: 2.55→51.366 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1895
0
0
41
1936
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.009
1971
X-RAY DIFFRACTION
f_angle_d
1.425
2648
X-RAY DIFFRACTION
f_dihedral_angle_d
20.986
1206
X-RAY DIFFRACTION
f_chiral_restr
0.079
274
X-RAY DIFFRACTION
f_plane_restr
0.011
363
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.5505-2.8072
0.3063
160
0.3053
3033
X-RAY DIFFRACTION
95
2.8072-3.2133
0.3119
159
0.2774
3027
X-RAY DIFFRACTION
95
3.2133-4.0482
0.2469
162
0.2337
3079
X-RAY DIFFRACTION
95
4.0482-51.3767
0.2252
171
0.193
3232
X-RAY DIFFRACTION
94
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
0.5251
0.319
1.2116
-0.0475
0.3517
3.0698
-0.6763
-0.733
0.0301
0.5087
0.2572
-0.2491
-1.8177
-0.5467
0.3031
0.9301
0.2783
0.0739
0.6441
0.1333
0.5526
-23.5237
31.6321
27.786
2
5.5082
0.4543
-3.2587
2.3885
0.1497
2.018
0.666
0.8814
-0.3003
0.0037
-0.4093
-0.1011
-0.5137
-0.7384
-0.0526
0.529
-0.0264
-0.0111
0.6741
0.0216
0.4215
-24.2382
31.5899
37.1754
3
3.0258
2.2462
0.1684
6.8453
-1.6524
1.0066
0.5275
-1.3914
0.5104
-1.1281
-0.184
0.6966
0.5243
1.0739
-0.1782
0.3963
-0.073
-0.0573
0.5026
-0.1839
0.3726
-14.4867
28.1702
40.9723
4
7.0303
-0.7687
-0.4718
3.3951
-1.1044
2.5137
-0.5101
-0.5604
0.5498
-0.3526
0.9624
-0.144
0.4452
0.0084
-0.1858
0.4574
0.0126
-0.0813
0.4689
-0.0796
0.4337
-20.9943
31.8455
49.9004
5
2.2638
1.677
-0.3832
7.5967
3.5757
3.6555
0.2222
0.4418
1.2856
0.8584
-0.0379
0.7175
1.9537
1.3515
-0.0278
0.6685
0.2424
-0.0372
0.642
0.0311
0.4975
-13.3756
19.4939
45.3468
6
3.2512
0.6737
2.5692
6.277
-1.0655
6.5541
-1.2221
0.3184
-0.6735
-0.0417
0.5192
-1.1707
-0.7253
-0.6027
0.8106
1.1982
-0.0021
0.2227
0.2847
-0.1015
0.4017
-21.2965
16.4864
32.4742
7
4.4843
0.2728
-2.0771
1.2783
0.7136
5.9238
0.8656
1.2098
0.1207
-0.2693
-0.4774
0.0173
-0.836
0.4686
-0.693
0.7458
-0.1372
0.1194
0.6083
-0.0832
0.3512
-18.7178
20.0113
29.8487
8
0.8456
-0.631
0.3778
0.5047
0.168
1.0009
-0.0837
0.0432
0.3616
-0.1504
-0.2069
-0.4126
-0.5124
-0.3061
0.1349
0.2303
0.1033
0.1401
0.6482
0.0154
0.4175
-14.0795
22.8687
22.7632
9
5.4728
2.1956
1.415
3.0944
0.3678
9.7303
-1.0444
-0.4913
-0.1715
0.0507
0.2686
1.1189
-2.8035
-2.6921
0.4592
0.9342
0.3589
0.1084
1.144
0.1415
0.5019
-9.2058
53.0647
38.5494
10
0.9185
0.0694
-0.5121
2.5242
-0.4385
0.3014
-0.5848
0.6412
-0.092
0.0465
0.3052
0.1527
0.1361
-0.4226
0.1034
0.5448
-0.2981
-0.0474
0.653
0.0876
0.2988
-8.4109
45.2076
52.4811
11
1.7782
1.2164
-1.996
1.7046
-2.0122
2.5792
-0.5735
-0.4836
0.8223
-1.1613
0.4202
0.0599
0.2336
0.1179
-0.3074
0.8787
-0.0736
-0.0388
0.3809
-0.0218
0.433
-4.3563
51.4216
58.0464
12
4.955
2.0417
5.5352
4.9211
2.4783
8.584
0.1833
1.2495
0.7943
0.5402
0.1874
0.3985
1.4217
1.7131
-0.0205
0.47
-0.0367
0.1636
0.3353
-0.1247
0.0425
-2.3426
51.2981
67.1914
13
1.4928
-0.3684
-1.9693
1.1485
1.8452
4.8091
0.0322
-0.6239
0.2203
0.5964
-0.3408
-0.0417
0.9565
0.6585
0.019
0.8304
-0.1448
-0.0543
0.9799
-0.1342
0.6815
10.1019
49.8759
59.8726
14
4.5005
0.3482
-2.9818
0.2371
-0.3488
2.0466
-0.3515
2.2587
-0.46
-0.2903
0.5887
-0.6672
-0.2688
-1.7145
-0.0487
0.6602
-0.3111
0.1746
0.9459
-0.0175
0.8984
3.3508
37.1147
47.0102
15
7.8264
-0.8135
0.5813
8.2813
2.397
5.8527
-1.0338
-0.7649
1.4939
-0.4367
0.44
1.2093
0.261
0.9951
0.1644
0.4092
0.1646
-0.0853
0.4953
-0.2073
0.5733
8.7717
45.9468
50.1777
16
0.9282
-0.9129
-0.2489
2.1008
1.6405
1.7923
-0.2498
-0.4316
0.337
-0.1419
0.7918
-0.0991
0.2405
0.2481
-0.3794
0.8439
-0.1463
0.0222
0.4257
-0.0211
0.256
3.1504
50.2649
37.1699
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Selection details
1
X-RAY DIFFRACTION
1
(CHAINAANDRESID1:18)
2
X-RAY DIFFRACTION
2
(CHAINAANDRESID19:38)
3
X-RAY DIFFRACTION
3
(CHAINAANDRESID39:48)
4
X-RAY DIFFRACTION
4
(CHAINAANDRESID49:78)
5
X-RAY DIFFRACTION
5
(CHAINBANDRESID1:13)
6
X-RAY DIFFRACTION
6
(CHAINBANDRESID14:26)
7
X-RAY DIFFRACTION
7
(CHAINBANDRESID27:39)
8
X-RAY DIFFRACTION
8
(CHAINBANDRESID40:78)
9
X-RAY DIFFRACTION
9
(CHAINCANDRESID1:12)
10
X-RAY DIFFRACTION
10
(CHAINCANDRESID13:39)
11
X-RAY DIFFRACTION
11
(CHAINCANDRESID40:55)
12
X-RAY DIFFRACTION
12
(CHAINCANDRESID56:78)
13
X-RAY DIFFRACTION
13
(CHAINDANDRESID1:10)
14
X-RAY DIFFRACTION
14
(CHAINDANDRESID11:21)
15
X-RAY DIFFRACTION
15
(CHAINDANDRESID22:32)
16
X-RAY DIFFRACTION
16
(CHAINDANDRESID33:78)
+
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