Resolution: 6→46.95 Å / Cor.coef. Fo:Fc: 0.761 / Cor.coef. Fo:Fc free: 0.679 / SU ML: 0.81 / σ(F): 1.55 / Phase error: 28 / Stereochemistry target values: ML / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Rfree
0.2739
941
9.6 %
Rwork
0.2385
-
-
obs
0.2417
9802
99.71 %
all
-
4990
-
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parameters
Biso mean: 222.671 Å2
Baniso -1
Baniso -2
Baniso -3
1-
4.92 Å2
4.92 Å2
-0 Å2
2-
-
4.92 Å2
-0 Å2
3-
-
-
-15.95 Å2
Refinement step
Cycle: LAST / Resolution: 6→46.95 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
5715
0
0
0
5715
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.013
5813
X-RAY DIFFRACTION
f_angle_d
1.446
7846
X-RAY DIFFRACTION
f_dihedral_angle_d
17.376
2143
X-RAY DIFFRACTION
f_chiral_restr
0.093
885
X-RAY DIFFRACTION
f_plane_restr
0.006
1015
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
6.0002-6.3158
0.3355
124
0.2706
1285
X-RAY DIFFRACTION
100
6.3158-6.7105
0.2739
122
0.2439
1262
X-RAY DIFFRACTION
100
6.7105-7.2269
0.2815
144
0.2107
1268
X-RAY DIFFRACTION
100
7.2269-7.951
0.2735
158
0.2272
1237
X-RAY DIFFRACTION
100
7.951-9.0943
0.2379
144
0.1813
1259
X-RAY DIFFRACTION
100
9.0943-11.4305
0.2174
130
0.1884
1271
X-RAY DIFFRACTION
100
11.4305-46.9562
0.3529
119
0.3275
1279
X-RAY DIFFRACTION
99
+
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