Resolution: 2.04→55.687 Å / SU ML: 0.35 / σ(F): 1.35 / Phase error: 36.18 / Stereochemistry target values: ML Details: RESIDUES 1-3 ARE DISORDERED DENSITY MODIFICATION PERFORMED. MTZ FILE POST DENSITY MODIFICATION SUBMITTED.
Rfactor
Num. reflection
% reflection
Rfree
0.3185
1383
2.5 %
Rwork
0.2376
-
-
obs
0.2397
54463
98.66 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 2.04→55.687 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
6234
0
184
422
6840
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.01
6597
X-RAY DIFFRACTION
f_angle_d
1.412
8957
X-RAY DIFFRACTION
f_dihedral_angle_d
15.308
2753
X-RAY DIFFRACTION
f_chiral_restr
0.056
973
X-RAY DIFFRACTION
f_plane_restr
0.006
1186
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.04-2.1129
0.3863
140
0.3165
5259
X-RAY DIFFRACTION
99
2.1129-2.1975
0.402
135
0.2965
5251
X-RAY DIFFRACTION
99
2.1975-2.2975
0.3808
126
0.2988
5253
X-RAY DIFFRACTION
99
2.2975-2.4187
0.3844
121
0.2696
5320
X-RAY DIFFRACTION
99
2.4187-2.5702
0.3795
131
0.2663
5264
X-RAY DIFFRACTION
99
2.5702-2.7687
0.3048
151
0.2691
5298
X-RAY DIFFRACTION
99
2.7687-3.0473
0.3669
144
0.2685
5244
X-RAY DIFFRACTION
98
3.0473-3.4881
0.3125
131
0.241
5365
X-RAY DIFFRACTION
99
3.4881-4.3944
0.2938
143
0.2086
5340
X-RAY DIFFRACTION
98
4.3944-55.7082
0.2721
161
0.1953
5486
X-RAY DIFFRACTION
97
+
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