Resolution: 1.766→57.5 Å / SU ML: 0.17 / σ(F): 1.39 / Phase error: 21.27 / Stereochemistry target values: ML Details: RESIDUES 1-2 ARE DISORDERED. ELECTRON DENSITY FOR ONLY TWO OF THREE ARMS FOR THE DENDRON IS OBSERVED. PDB FILE CONTAINS ONLY THESE TWO ARMS.
Rfactor
Num. reflection
% reflection
Rfree
0.2355
1257
4.9 %
Rwork
0.1816
-
-
obs
0.1841
25665
96.61 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 1.766→57.5 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2088
0
64
269
2421
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.007
2242
X-RAY DIFFRACTION
f_angle_d
1.158
3049
X-RAY DIFFRACTION
f_dihedral_angle_d
13.97
827
X-RAY DIFFRACTION
f_chiral_restr
0.055
329
X-RAY DIFFRACTION
f_plane_restr
0.005
407
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.766-1.8367
0.2568
123
0.1912
2541
X-RAY DIFFRACTION
92
1.8367-1.9203
0.24
126
0.1792
2648
X-RAY DIFFRACTION
96
1.9203-2.0216
0.2178
146
0.189
2741
X-RAY DIFFRACTION
99
2.0216-2.1482
0.2502
157
0.1808
2695
X-RAY DIFFRACTION
98
2.1482-2.3141
0.2212
150
0.1856
2690
X-RAY DIFFRACTION
97
2.3141-2.547
0.2482
138
0.1909
2740
X-RAY DIFFRACTION
98
2.547-2.9155
0.2618
151
0.2038
2729
X-RAY DIFFRACTION
98
2.9155-3.6731
0.2422
129
0.1763
2790
X-RAY DIFFRACTION
97
3.6731-57.5305
0.2104
137
0.1652
2834
X-RAY DIFFRACTION
94
+
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