Resolution: 2.73→40.837 Å / SU ML: 0.44 / σ(F): 0.03 / Phase error: 34.24 / Stereochemistry target values: ML Details: REFINED USING GROUP B-FACTOR AND NCS FOR 2.73A RESOLUTION. RESIDUES 301-303 ARE DISORDERED.
Rfactor
Num. reflection
% reflection
Rfree
0.2823
1701
5.1 %
Rwork
0.2092
-
-
obs
0.2127
18041
99.78 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parameters
Biso mean: 48.8 Å2
Refinement step
Cycle: LAST / Resolution: 2.73→40.837 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4260
0
89
80
4429
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.016
4480
X-RAY DIFFRACTION
f_angle_d
1.277
6082
X-RAY DIFFRACTION
f_dihedral_angle_d
15.131
1654
X-RAY DIFFRACTION
f_chiral_restr
0.05
616
X-RAY DIFFRACTION
f_plane_restr
0.007
784
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.73-2.8103
0.4742
122
0.3973
2653
X-RAY DIFFRACTION
100
2.8103-2.901
0.4096
148
0.3571
2639
X-RAY DIFFRACTION
100
2.901-3.0047
0.3485
164
0.321
2636
X-RAY DIFFRACTION
100
3.0047-3.1249
0.3716
121
0.2948
2647
X-RAY DIFFRACTION
100
3.1249-3.2671
0.3566
158
0.271
2674
X-RAY DIFFRACTION
100
3.2671-3.4393
0.3122
158
0.2429
2596
X-RAY DIFFRACTION
100
3.4393-3.6546
0.273
127
0.212
2639
X-RAY DIFFRACTION
100
3.6546-3.9366
0.221
165
0.1853
2637
X-RAY DIFFRACTION
100
3.9366-4.3324
0.2163
152
0.1603
2633
X-RAY DIFFRACTION
100
4.3324-4.9583
0.2102
134
0.1593
2646
X-RAY DIFFRACTION
100
4.9583-6.2434
0.3063
145
0.2019
2638
X-RAY DIFFRACTION
100
6.2434-40.8415
0.2997
107
0.1837
2686
X-RAY DIFFRACTION
100
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
1.1479
-0.5818
-0.0394
3.9664
-1.3509
4.3369
-0.0635
0.3163
0.0215
-0.8478
0.0087
-0.1184
0.3979
0.111
0.0514
0.4696
-0.0691
-0.1309
0.2991
-0.001
0.324
22.8518
25.0756
210.2917
2
1.7011
0.3225
0.4223
1.9629
-0.0168
2.8886
-0.359
-0.281
0.1824
-0.6148
0.021
-0.0666
-0.5009
0.0381
-0.0361
0.8497
-0.0714
-0.0538
0.1141
-0.07
0.2262
17.249
-12.0476
194.4919
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Selection details
1
X-RAY DIFFRACTION
1
(CHAINAANDRESID34:300)
2
X-RAY DIFFRACTION
2
(CHAINBANDRESID34:300)
+
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