SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Resolution: 3.15→40.619 Å / SU ML: 0.39 / σ(F): 1.35 / Phase error: 24.05 / Stereochemistry target values: ML Details: RESIDUES 1 TO 15, 124 TO 151, 229 TO 233 AND 529 TO 534 ARE DISORDERED
Rfactor
Num. reflection
% reflection
Rfree
0.2364
946
5.1 %
Rwork
0.2005
-
-
obs
0.2024
18432
99.86 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 44.072 Å2 / ksol: 0.318 e/Å3
Displacement parameters
Baniso -1
Baniso -2
Baniso -3
1-
-4.1295 Å2
0 Å2
0 Å2
2-
-
-4.1295 Å2
0 Å2
3-
-
-
8.259 Å2
Refinement step
Cycle: LAST / Resolution: 3.15→40.619 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4668
0
0
0
4668
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.003
4800
X-RAY DIFFRACTION
f_angle_d
0.743
6549
X-RAY DIFFRACTION
f_dihedral_angle_d
13.633
1710
X-RAY DIFFRACTION
f_chiral_restr
0.054
708
X-RAY DIFFRACTION
f_plane_restr
0.003
861
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
3.1501-3.3161
0.3104
123
0.2764
2447
X-RAY DIFFRACTION
100
3.3161-3.5237
0.2958
140
0.2421
2437
X-RAY DIFFRACTION
100
3.5237-3.7956
0.2832
135
0.2302
2471
X-RAY DIFFRACTION
100
3.7956-4.1773
0.2698
148
0.1922
2455
X-RAY DIFFRACTION
100
4.1773-4.7809
0.1886
136
0.1647
2497
X-RAY DIFFRACTION
100
4.7809-6.0203
0.2196
141
0.177
2504
X-RAY DIFFRACTION
100
6.0203-40.622
0.2085
123
0.2034
2675
X-RAY DIFFRACTION
99
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
6.1555
1.4348
0.1244
3.9673
0.0969
4.3979
0.2392
0.6312
-0.906
-0.4056
0.1078
0.759
1.1785
-0.2471
-0.1787
0.723
-0.1251
-0.2476
0.2854
-0.0128
0.6569
-21.4263
-44.5487
-4.8911
2
2.5022
0.7685
-0.1899
2.4512
1.6566
1.2963
-0.1668
-0.8846
-0.73
0.6508
0.346
0.3774
0.7045
-0.4744
0.0507
0.5235
-0.1966
0.0368
0.6134
0.2814
0.5434
-24.8153
-34.929
20.7874
3
2.7299
-2.1682
0.2383
4.7974
0.9007
3.7181
0.2023
-0.112
-1.1502
0.1058
0.1587
-0.1336
1.3725
1.0113
-0.3298
0.9499
0.1559
-0.2932
0.8202
0.1433
1.0649
-2.4443
-52.6896
10.5303
4
2.0338
1.4402
-0.9756
1.249
-0.1034
2.6373
0.4722
-0.8445
-1.5131
0.0178
-0.128
-0.3581
1.0877
1.1519
-0.2155
0.8195
0.1021
-0.3132
0.6075
0.1367
0.8386
1.0301
-47.9986
10.8842
5
4.9427
-0.6636
-1.2892
4.0132
0.539
3.3694
0.3046
-0.6568
-0.6714
-0.1211
0.0307
-0.2707
0.0788
0.6583
-0.3099
0.5341
-0.0153
-0.1518
0.4894
0.0683
0.4841
-7.8918
-36.8669
6.3191
6
2.1828
0.4606
0.773
2.8891
0.5618
2.8248
-0.0827
-0.3645
0.1791
-0.0041
0.4652
-0.6955
0.0376
1.2913
-0.1974
0.2803
-0.0783
-0.0521
0.8328
-0.158
0.5561
-1.4565
-20.7718
16.4647
7
2.0336
-0.346
0.8381
4.0091
-0.0237
0.5203
-0.0121
0.2463
0.4531
0.3733
0.0537
-0.9213
0.454
0.6131
-0.1845
0.6996
0.231
-0.3011
1.4658
-0.0698
0.8132
3.6628
-23.8801
34.1668
8
3.1634
-0.3041
0.2115
4.4518
-0.597
4.41
0.0882
-1.1
-0.1845
1.2171
0.2777
0.0216
0.6359
-0.1211
-0.242
0.7143
0.0408
-0.0972
0.9103
0.0597
0.3248
-12.8445
-24.048
33.7919
9
4.494
2.2948
1.6166
4.1866
-0.0877
4.5738
-0.2767
-0.1004
0.7055
-0.021
0.1009
-0.2639
-0.8664
0.4197
0.1752
0.6382
-0.2296
-0.1035
0.5249
-0.0676
0.4628
-10.9748
-5.2501
17.117
10
5.0524
3.6879
3.4266
3.2756
1.7274
6.4427
-0.0597
-0.9177
1.3193
0.7751
-0.6833
0.676
-1.1634
-0.3317
0.7095
0.7118
-0.0639
-0.1552
0.6037
-0.1495
0.7222
-16.6876
-0.0458
23.7102
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Selection details
1
X-RAY DIFFRACTION
1
CHAINAAND (RESSEQ16:62)
2
X-RAY DIFFRACTION
2
CHAINAAND (RESSEQ63:164)
3
X-RAY DIFFRACTION
3
CHAINAAND (RESSEQ165:210)
4
X-RAY DIFFRACTION
4
CHAINAAND (RESSEQ211:267)
5
X-RAY DIFFRACTION
5
CHAINAAND (RESSEQ268:329)
6
X-RAY DIFFRACTION
6
CHAINAAND (RESSEQ330:418)
7
X-RAY DIFFRACTION
7
CHAINAAND (RESSEQ419:460)
8
X-RAY DIFFRACTION
8
CHAINAAND (RESSEQ461:556)
9
X-RAY DIFFRACTION
9
CHAINAAND (RESSEQ557:610)
10
X-RAY DIFFRACTION
10
CHAINAAND (RESSEQ611:643)
+
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