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 7-STRANDED BARREL THIS IS REPRESENTED BY A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 7-STRANDED BARREL THIS IS REPRESENTED BY A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Resolution: 1.8→47.332 Å / SU ML: 0.2 / σ(F): 1.33 / Phase error: 20.68 / Stereochemistry target values: ML Details: THIS ENTRY IS RELATED TO PDB ENTRY 4CBO. THESE TWO ENTRIES REFER TO THE SAME CRYSTAL STRUCTURE, REFINED USING CONVENTIONAL AND ENSEMBLE REFINEMENT.
Rfactor
Num. reflection
% reflection
Rfree
0.2187
1857
5 %
Rwork
0.1898
-
-
obs
0.1913
37152
98.69 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parameters
Biso mean: 29.2 Å2
Refinement step
Cycle: LAST / Resolution: 1.8→47.332 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3412
0
18
308
3738
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.007
3729
X-RAY DIFFRACTION
f_angle_d
1.242
5097
X-RAY DIFFRACTION
f_dihedral_angle_d
15.422
1407
X-RAY DIFFRACTION
f_chiral_restr
0.083
570
X-RAY DIFFRACTION
f_plane_restr
0.008
685
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.8-1.8487
0.2893
148
0.2605
2683
X-RAY DIFFRACTION
99
1.8487-1.9031
0.2836
144
0.2465
2658
X-RAY DIFFRACTION
99
1.9031-1.9645
0.253
150
0.2252
2694
X-RAY DIFFRACTION
100
1.9645-2.0347
0.2675
137
0.205
2689
X-RAY DIFFRACTION
99
2.0347-2.1162
0.222
120
0.1973
2723
X-RAY DIFFRACTION
99
2.1162-2.2125
0.2154
158
0.1921
2654
X-RAY DIFFRACTION
98
2.2125-2.3291
0.2239
133
0.1868
2731
X-RAY DIFFRACTION
100
2.3291-2.4751
0.2453
154
0.191
2669
X-RAY DIFFRACTION
98
2.4751-2.6662
0.2249
134
0.1945
2723
X-RAY DIFFRACTION
99
2.6662-2.9344
0.2188
157
0.1849
2712
X-RAY DIFFRACTION
98
2.9344-3.3589
0.2146
137
0.175
2751
X-RAY DIFFRACTION
99
3.3589-4.2315
0.19
130
0.1574
2709
X-RAY DIFFRACTION
96
4.2315-47.3479
0.1944
155
0.1983
2899
X-RAY DIFFRACTION
98
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
1.6265
-0.1954
0.3662
1.5208
0.025
2.1251
-0.0669
-0.0231
0.4355
0.1702
0.0793
-0.0969
-0.1788
-0.0671
0.0755
0.0965
0.0204
-0.0117
0.1357
-0.0256
0.225
-15.2263
21.7797
-16.2857
2
2.885
0.053
-0.8121
2.1968
0.5803
1.2556
-0.1062
-0.4095
-0.3615
0.2134
0.0961
0.1448
0.227
0.0054
0.0134
0.1481
0.0212
0.0298
0.1972
0.0082
0.17
-16.1876
8.8784
-12.6134
3
2.7136
-0.2697
-0.283
1.2227
-0.0888
0.4276
-0.0507
-0.1442
0.2402
0.1385
0.0336
-0.0098
-0.0107
-0.0177
0.02
0.1209
0.0136
-0.0023
0.14
-0.0343
0.1003
-7.3209
16.7582
-16.2217
4
2.0994
0.7362
0.3094
1.7834
0.8465
0.9065
0.1631
-0.9044
1.102
0.5409
-0.1065
-0.1371
-0.5317
0.2581
-0.0783
0.5356
-0.039
-0.0252
0.4962
-0.144
0.8337
-2.9757
25.9002
-9.8308
5
2.2837
0.5364
1.1538
1.9729
0.7568
2.5499
0.1989
-0.5529
0.2836
0.5528
-0.2036
-0.165
0.0735
0.1512
-0.0273
0.2623
-0.05
-0.0308
0.3044
-0.04
0.1929
-1.0777
20.4685
-12.9353
6
1.6343
0.288
-0.281
2.997
0.8387
1.9788
-0.0686
0.1219
-0.052
-0.2556
-0.0793
-0.034
0.0787
-0.1185
0.1353
0.1147
0.0141
-0.0023
0.1439
0.0003
0.0744
-3.3155
7.8086
-21.1415
7
1.2311
0.4438
0.2436
0.9729
-0.707
1.4194
-0.0553
-0.1106
0.0517
-0.1911
0.018
-0.2746
0.1617
0.047
0.0264
0.2028
-0.0118
0.0403
0.1113
0.0119
0.0736
-5.404
21.429
-47.5204
8
1.589
0.377
-0.2987
0.2918
0.2603
1.3484
0.2738
0.1663
-0.5515
-0.6035
-0.1053
-0.3558
0.8135
0.1915
0.0469
0.475
0.0602
0.0315
0.16
-0.0473
0.1721
-4.4739
9.5434
-50.1276
9
1.5857
-0.2034
0.2283
2.5287
-1.0052
1.8747
0.0395
0.0493
-0.0959
-0.503
0.1125
0.2465
0.288
-0.1601
-0.0647
0.2326
-0.0403
-0.0376
0.1062
0.0137
0.1019
-13.8106
18.1615
-50.1428
10
2.3527
0.0144
0.2987
1.5088
0.0188
1.4459
0.1102
-0.0532
-0.0727
-0.646
0.1275
0.6149
0.2643
-0.4096
-0.0856
0.3568
-0.0893
-0.0851
0.2
0.058
0.1608
-18.3586
15.9713
-50.7582
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Selection details
1
X-RAY DIFFRACTION
1
CHAINAAND (RESSEQ1:32)
2
X-RAY DIFFRACTION
2
CHAINAAND (RESSEQ33:55)
3
X-RAY DIFFRACTION
3
CHAINAAND (RESSEQ56:171)
4
X-RAY DIFFRACTION
4
CHAINAAND (RESSEQ172:185)
5
X-RAY DIFFRACTION
5
CHAINAAND (RESSEQ186:210)
6
X-RAY DIFFRACTION
6
CHAINAAND (RESSEQ211:228)
7
X-RAY DIFFRACTION
7
CHAINBAND (RESSEQ1:32)
8
X-RAY DIFFRACTION
8
CHAINBAND (RESSEQ33:55)
9
X-RAY DIFFRACTION
9
CHAINBAND (RESSEQ56:185)
10
X-RAY DIFFRACTION
10
CHAINBAND (RESSEQ186:228)
+
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