Resolution: 2→46.08 Å / SU ML: 0.17 / σ(F): 1.39 / Phase error: 16.24 / Stereochemistry target values: ML Details: PREVIOUS REFINEMENT CYCLES WERE CARRIED OUT WITH REFMAC 5.0. THERE IS ONE DISORDERED REGION IN THE STRUCTURE, BETWEEN RESIDUES 65 AND 70. THIS REGION WAS MODELLED ON THE FO-FC MAP, ...Details: PREVIOUS REFINEMENT CYCLES WERE CARRIED OUT WITH REFMAC 5.0. THERE IS ONE DISORDERED REGION IN THE STRUCTURE, BETWEEN RESIDUES 65 AND 70. THIS REGION WAS MODELLED ON THE FO-FC MAP, CALCULATED WHEN THE OCCUPANCY OF RESIDUES WAS SET TO 0.
Rfactor
Num. reflection
% reflection
Rfree
0.1985
919
5.1 %
Rwork
0.1529
-
-
obs
0.1551
18061
99.66 %
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→46.08 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1894
0
72
261
2227
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.007
2062
X-RAY DIFFRACTION
f_angle_d
1.243
2816
X-RAY DIFFRACTION
f_dihedral_angle_d
14.66
769
X-RAY DIFFRACTION
f_chiral_restr
0.088
290
X-RAY DIFFRACTION
f_plane_restr
0.005
368
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2-2.1054
0.197
134
0.1431
2410
X-RAY DIFFRACTION
100
2.1054-2.2374
0.2197
124
0.1422
2407
X-RAY DIFFRACTION
100
2.2374-2.4101
0.1789
134
0.1433
2393
X-RAY DIFFRACTION
100
2.4101-2.6526
0.2146
138
0.1517
2429
X-RAY DIFFRACTION
100
2.6526-3.0364
0.2014
124
0.1675
2447
X-RAY DIFFRACTION
100
3.0364-3.8252
0.2087
128
0.1511
2477
X-RAY DIFFRACTION
100
3.8252-46.0923
0.1833
137
0.1574
2579
X-RAY DIFFRACTION
98
+
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