Resolution: 2.2→66.925 Å / σ(F): 1.14 / Phase error: 28.33 / Stereochemistry target values: TWIN_LSQ_F / Details: CHAINS A, B, C, D, E AND F ARE RELATED BY NCS.
Rfactor
Num. reflection
% reflection
Rfree
0.2355
1308
5 %
Rwork
0.2103
-
-
obs
0.2125
24803
98.93 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 0 Å2 / ksol: 0 e/Å3
Displacement parameters
Biso mean: 56.8 Å2
Refinement step
Cycle: LAST / Resolution: 2.2→66.925 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2734
0
18
163
2915
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.007
2866
X-RAY DIFFRACTION
f_angle_d
1.128
3859
X-RAY DIFFRACTION
f_dihedral_angle_d
15.123
1156
X-RAY DIFFRACTION
f_chiral_restr
0.056
424
X-RAY DIFFRACTION
f_plane_restr
0.008
483
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.2004-2.2427
0.2963
143
0.3106
2677
X-RAY DIFFRACTION
95
2.2427-2.2885
0.3224
142
0.2876
2695
X-RAY DIFFRACTION
93
2.2885-2.3383
0.2871
148
0.2908
2696
X-RAY DIFFRACTION
93
2.3383-2.3927
0.2678
140
0.2677
2696
X-RAY DIFFRACTION
95
2.3927-2.4525
0.3565
149
0.2723
2758
X-RAY DIFFRACTION
93
2.4525-2.5188
0.2669
136
0.2637
2657
X-RAY DIFFRACTION
95
2.5188-2.5929
0.3132
142
0.2711
2779
X-RAY DIFFRACTION
94
2.5929-2.6766
0.2885
143
0.2655
2659
X-RAY DIFFRACTION
93
2.6766-2.7723
0.2853
137
0.2506
2700
X-RAY DIFFRACTION
95
2.7723-2.8833
0.2725
145
0.2614
2720
X-RAY DIFFRACTION
94
2.8833-3.0145
0.2468
150
0.231
2735
X-RAY DIFFRACTION
95
3.0145-3.1734
0.3005
141
0.2402
2740
X-RAY DIFFRACTION
94
3.1734-3.3722
0.2028
152
0.2177
2739
X-RAY DIFFRACTION
94
3.3722-3.6325
0.2829
139
0.1894
2692
X-RAY DIFFRACTION
95
3.6325-3.998
0.1943
149
0.1672
2711
X-RAY DIFFRACTION
94
3.998-4.5762
0.1309
144
0.1507
2715
X-RAY DIFFRACTION
94
4.5762-5.7645
0.17
140
0.1609
2705
X-RAY DIFFRACTION
94
5.7645-53.5985
0.2485
132
0.1955
2733
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
0.9176
0.7993
0.2628
3.7384
1.2583
1.4284
-0.0927
-0.2174
-0.1271
0.0732
-0.0554
-0.1565
-0.0051
0.0602
0.0607
0.4772
-0.0259
-0.1295
0.5134
0.023
0.168
-8.9325
-15.2364
-1.8697
2
0.788
-0.4397
-0.0457
2.9884
1.2874
1.6176
0.1623
-0.0958
-0.176
0.184
-0.1333
0.0744
0.2337
-0.0027
-0.0059
0.5024
0.0052
0.0287
0.5781
0.052
0.1981
-13.8265
-19.3937
-6.2764
3
3.0537
-0.9532
0.0077
2.4155
1.4933
4.1937
-0.1967
0.7544
0.3878
-0.1543
0.4148
-0.0342
-0.2617
0.3555
-0.2715
0.7317
0.0154
0.1677
0.6564
0.0913
0.3021
-18.8636
0.3443
-14.5935
4
7.2746
-2.0317
-0.4819
1.9066
1.4185
1.4026
0.1005
0.6396
-0.0166
-0.2801
-0.2872
-0.3197
-0.0554
0.0585
0.0469
0.6017
0.0127
0.0153
0.683
0.1126
0.2548
-22.2038
-1.1616
-13.0768
5
2.4729
-0.2866
-0.1299
7.5776
2.5306
4.4507
0.1196
-0.0752
-0.4185
0.3129
-0.0194
-0.2369
0.1056
-0.3394
-0.0705
0.3423
0.023
-0.0062
0.2859
0.0568
0.4058
-30.4092
-19.6691
-3.5496
6
2.1669
-0.0858
-0.1353
4.3395
2.4083
1.336
0.2625
0.1011
-0.1254
-0.2568
0.1736
-0.3442
0.0806
0.3062
-0.1825
0.4992
-0.036
0.0613
0.787
0.1084
0.0857
-30.7043
-12.3957
-4.4243
7
0.412
0.4981
0.4693
2.0113
-0.1147
0.8154
-0.0331
0.5673
0.3872
-0.1829
-0.2098
-0.181
0.0478
0.1125
-0.2396
0.3923
-0.1667
0.0131
0.1342
0.0429
1.3106
6.8115
15.1282
3.9593
8
1.1368
0.3827
0.8539
8.9846
1.9465
1.7129
-0.1051
-0.0341
-0.0845
0.0416
-0.1882
0.1447
-0.0164
0.1657
0.1561
0.3862
-0.0675
0.0437
0.3094
0.0736
1.025
5.788
17.4638
5.1073
9
4.1335
0.2682
0.0835
2.6155
0.8687
4.0081
-0.2162
-0.9829
-0.4686
0.8283
0.1558
0.0313
0.2795
0.4292
-0.0495
0.6204
0.011
-0.0442
0.5048
0.057
0.2654
-0.1366
-1.0721
14.4789
10
2.28
2.6444
1.244
3.1986
1.82
1.8605
0.0929
-0.451
0.1489
0.4336
-0.0048
-0.1523
-0.2366
-0.142
-0.0755
0.5651
-0.0024
0.0565
0.4725
0.0989
0.3457
-5.3793
-1.1464
10.7572
11
0.6224
1.6496
0.892
7.8352
1.1369
1.6414
0.0832
0.2447
0.3672
-0.3131
-0.0032
-0.0912
0.0533
0.0147
-0.1862
0.4127
-0.0678
-0.0073
0.2489
0.126
0.9822
-12.3522
17.4543
3.6482
12
1.9517
1.327
0.5704
2.5006
2.5266
3.0654
0.111
0.0165
-0.2718
-0.0741
0.0478
0.2689
0.16
0.1467
-0.0303
0.4517
-0.0294
-0.0363
0.2758
0.0683
1.1607
-11.8155
15.3152
3.3197
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Selection details
1
X-RAY DIFFRACTION
1
(CHAINAANDRESID279:297)
2
X-RAY DIFFRACTION
2
(CHAINAANDRESID298:338)
3
X-RAY DIFFRACTION
3
(CHAINBANDRESID282:309)
4
X-RAY DIFFRACTION
4
(CHAINBANDRESID310:338)
5
X-RAY DIFFRACTION
5
(CHAINCANDRESID279:325)
6
X-RAY DIFFRACTION
6
(CHAINCANDRESID326:338)
7
X-RAY DIFFRACTION
7
(CHAINDANDRESID279:305)
8
X-RAY DIFFRACTION
8
(CHAINDANDRESID306:338)
9
X-RAY DIFFRACTION
9
(CHAINEANDRESID282:316)
10
X-RAY DIFFRACTION
10
(CHAINEANDRESID317:338)
11
X-RAY DIFFRACTION
11
(CHAINFANDRESID279:310)
12
X-RAY DIFFRACTION
12
(CHAINFANDRESID311:338)
+
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