Shrinkage radii: 0.9 Å / VDW probe radii: 1 Å Solvent model: FLAT BULK SOLVENT MODEL HYDROGENS ADDED IN THE RIDING POSITION DURING REFINEMENT Bsol: 67.273 Å2 / ksol: 0.397 e/Å3
Displacement parameters
Baniso -1
Baniso -2
Baniso -3
1-
3.3884 Å2
-0 Å2
0 Å2
2-
-
-5.3636 Å2
-0 Å2
3-
-
-
1.9753 Å2
Refinement step
Cycle: LAST / Resolution: 1.551→33.036 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2263
0
0
340
2603
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.013
2408
X-RAY DIFFRACTION
f_angle_d
1.333
3296
X-RAY DIFFRACTION
f_dihedral_angle_d
14.726
909
X-RAY DIFFRACTION
f_chiral_restr
0.082
389
X-RAY DIFFRACTION
f_plane_restr
0.007
442
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.551-1.6064
0.3035
225
0.2534
4388
X-RAY DIFFRACTION
96
1.6064-1.6708
0.2724
232
0.2279
4514
X-RAY DIFFRACTION
98
1.6708-1.7468
0.2646
229
0.2049
4495
X-RAY DIFFRACTION
98
1.7468-1.8389
0.2268
230
0.1925
4482
X-RAY DIFFRACTION
97
1.8389-1.9541
0.2377
216
0.1953
4510
X-RAY DIFFRACTION
97
1.9541-2.1049
0.2002
226
0.1654
4528
X-RAY DIFFRACTION
98
2.1049-2.3167
0.177
217
0.1513
4579
X-RAY DIFFRACTION
98
2.3167-2.6518
0.1745
225
0.1441
4597
X-RAY DIFFRACTION
98
2.6518-3.3405
0.1611
226
0.1537
4657
X-RAY DIFFRACTION
99
3.3405-33.0438
0.1738
232
0.1622
4796
X-RAY DIFFRACTION
98
+
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