Method to determine structure: SAD / Resolution: 2.08→45.93 Å / SU ML: 0.29 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 30.93 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2553
778
5.04 %
random
Rwork
0.2243
-
-
-
obs
0.2257
15568
97.98 %
-
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parameters
Biso mean: 56.6 Å2
Refinement step
Cycle: LAST / Resolution: 2.08→45.93 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1656
0
7
49
1712
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.002
1696
X-RAY DIFFRACTION
f_angle_d
0.664
2306
X-RAY DIFFRACTION
f_dihedral_angle_d
16.252
647
X-RAY DIFFRACTION
f_chiral_restr
0.047
263
X-RAY DIFFRACTION
f_plane_restr
0.003
298
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.08-2.1544
0.3335
155
0.3251
2751
X-RAY DIFFRACTION
99
2.1544-2.2406
0.3196
164
0.3005
2633
X-RAY DIFFRACTION
95
2.2406-2.3426
0.3811
145
0.3503
2595
X-RAY DIFFRACTION
94
2.3426-2.4661
0.2773
144
0.2566
2775
X-RAY DIFFRACTION
99
2.4661-2.6206
0.3253
149
0.243
2759
X-RAY DIFFRACTION
100
2.6206-2.8229
0.3365
127
0.2529
2803
X-RAY DIFFRACTION
99
2.8229-3.1069
0.3034
157
0.2494
2759
X-RAY DIFFRACTION
99
3.1069-3.5564
0.2649
159
0.2266
2756
X-RAY DIFFRACTION
99
3.5564-4.4801
0.2281
101
0.1921
2766
X-RAY DIFFRACTION
98
4.4801-45.9424
0.2076
150
0.205
2724
X-RAY DIFFRACTION
98
+
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