Resolution: 3.2→54.167 Å / SU ML: 0.99 / Cross valid method: THROUGHOUT / σ(F): 1.39 / Phase error: 25.72 / Stereochemistry target values: ML / Details: THE FRIEDEL PAIRS WERE USED FOR PHASING
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2614
1629
5.06 %
RANDOM
Rwork
0.2126
-
-
-
obs
0.2151
17166
97.02 %
-
Solvent computation
Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 51.157 Å2 / ksol: 0.305 e/Å3
Displacement parameters
Baniso -1
Baniso -2
Baniso -3
1-
-4.6118 Å2
0 Å2
0.562 Å2
2-
-
6.2017 Å2
0 Å2
3-
-
-
-1.5899 Å2
Refinement step
Cycle: LAST / Resolution: 3.2→54.167 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
6380
0
29
11
6420
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.002
6543
X-RAY DIFFRACTION
f_angle_d
0.596
8895
X-RAY DIFFRACTION
f_dihedral_angle_d
14.493
2344
X-RAY DIFFRACTION
f_chiral_restr
0.045
1029
X-RAY DIFFRACTION
f_plane_restr
0.002
1145
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
3.2-3.2943
0.3462
129
0.2897
2540
X-RAY DIFFRACTION
97
3.2943-3.4006
0.3123
123
0.2804
2554
X-RAY DIFFRACTION
97
3.4006-3.5221
0.3602
129
0.2762
2537
X-RAY DIFFRACTION
96
3.5221-3.6631
0.2642
129
0.2405
2558
X-RAY DIFFRACTION
97
3.6631-3.8298
0.28
133
0.2165
2539
X-RAY DIFFRACTION
97
3.8298-4.0316
0.2531
127
0.2171
2540
X-RAY DIFFRACTION
97
4.0316-4.2841
0.2721
148
0.1792
2544
X-RAY DIFFRACTION
97
4.2841-4.6148
0.2157
140
0.168
2569
X-RAY DIFFRACTION
98
4.6148-5.0789
0.2172
158
0.174
2535
X-RAY DIFFRACTION
97
5.0789-5.813
0.2655
143
0.1947
2540
X-RAY DIFFRACTION
97
5.813-7.321
0.2414
143
0.2185
2550
X-RAY DIFFRACTION
97
7.321-54.1747
0.2489
127
0.2058
2529
X-RAY DIFFRACTION
96
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
2.8283
-0.3034
0.2645
1.7056
-0.0381
1.7271
0.16
0.4669
-0.775
-0.2787
0.1403
0.0798
0.2706
0.0748
0.0707
0.3597
0.0456
-0.1229
0.1925
-0.114
0.4062
31.9409
-18.5703
17.9994
2
1.0681
-0.8638
-0.5373
0.835
0.2443
2.0844
-0.0925
-0.6236
-0.5508
0.1691
0.0225
0.2844
0.299
-0.6548
-0.3784
0.1192
-0.0507
0.0979
0.5265
0.2351
0.3164
6.4575
-11.1017
37.9121
3
1.7957
-0.4841
0.1146
1.0085
0.034
1.4267
0.1201
0.7052
0.017
-0.2364
0.0033
-0.1942
-0.1659
0.8478
-0.005
0.3789
0.0528
0.1202
0.822
-0.0758
0.19
59.0951
-8.4677
15.1969
4
2.3917
-0.1826
1.2464
0.7249
0.0547
2.115
0.085
0.1518
-0.1601
-0.0827
0.0633
-0.1279
0.1581
0.4847
0.3065
-0.0485
0.1111
0.128
0.0039
-0.0028
-0.127
49.9758
-9.9251
32.4928
5
2.0482
0.0568
0.1944
1.4838
0.212
1.8563
-0.0801
0.2426
0.4443
-0.0681
0.0521
0.3446
-0.5008
-0.3635
0.0773
0.0253
0.1744
0.0501
-0.0004
-0.0681
-0.1351
21.7086
5.9759
21.6031
6
2.6653
-0.5601
1.3843
1.0663
-0.1611
0.8474
-0.3176
-0.3949
0.8465
0.2018
0.0154
0.0414
-0.7698
-0.3623
-0.353
0.5336
0.1509
-0.0482
0.1296
-0.0707
0.3387
29.4793
15.3774
37.4579
7
3.162
-1.2606
1.0863
2.3253
-0.2531
2.5396
-0.3553
-0.4047
1.0376
0.0576
0.0491
-0.178
-0.7677
-0.2296
0.1836
0.6419
-0.0557
-0.1488
0.3855
-0.2244
0.7865
38.1566
19.632
37.9671
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Selection details
1
X-RAY DIFFRACTION
1
chain 'A' and (resseq144:208)
2
X-RAY DIFFRACTION
2
chain 'A' and (resseq209:308)
3
X-RAY DIFFRACTION
3
chain 'A' and (resseq309:477)
4
X-RAY DIFFRACTION
4
chain 'A' and (resseq478:688)
5
X-RAY DIFFRACTION
5
chain 'A' and (resseq689:941)
6
X-RAY DIFFRACTION
6
chain 'A' and (resseq942:1037)
7
X-RAY DIFFRACTION
7
chain 'A' and (resseq1038:1092)
+
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