Resolution: 3.2→44.63 Å / SU ML: 0.39 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 27.26 / Stereochemistry target values: ML Details: SINCE FRAGMENTS (RESIDUES 157-173) OF CHAINS A/B/C ARE DISORDERED AND THE THREE N-TERMIANL FRAGMENTS 143-156 OF THE THREE CHAINS ARE CLOSED TO EACH OTHER, AUTHOR CANNOT IDENTIFY THE CORRECT ...Details: SINCE FRAGMENTS (RESIDUES 157-173) OF CHAINS A/B/C ARE DISORDERED AND THE THREE N-TERMIANL FRAGMENTS 143-156 OF THE THREE CHAINS ARE CLOSED TO EACH OTHER, AUTHOR CANNOT IDENTIFY THE CORRECT CHAIN IDS OF THE N-TERMINAL FRAGMENTS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.252
1602
5.14 %
Random selection
Rwork
0.207
-
-
-
obs
0.209
31154
99.7 %
-
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parameters
Biso mean: 99.83 Å2
Refinement step
Cycle: LAST / Resolution: 3.2→44.63 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
8633
0
156
11
8800
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.006
9015
X-RAY DIFFRACTION
f_angle_d
0.979
12232
X-RAY DIFFRACTION
f_dihedral_angle_d
14.659
3416
X-RAY DIFFRACTION
f_chiral_restr
0.042
1328
X-RAY DIFFRACTION
f_plane_restr
0.005
1582
Refine LS restraints NCS
Ens-ID
Dom-ID
Auth asym-ID
Number
Refine-ID
Type
1
1
A
4956
X-RAY DIFFRACTION
POSITIONAL
1
2
B
4956
X-RAY DIFFRACTION
POSITIONAL
1
3
C
4956
X-RAY DIFFRACTION
POSITIONAL
2
1
A
165
X-RAY DIFFRACTION
POSITIONAL
2
2
B
165
X-RAY DIFFRACTION
POSITIONAL
2
3
C
165
X-RAY DIFFRACTION
POSITIONAL
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
3.2001-3.3034
0.3195
129
0.3004
2673
X-RAY DIFFRACTION
100
3.3034-3.4214
0.3053
147
0.2759
2682
X-RAY DIFFRACTION
100
3.4214-3.5583
0.2944
152
0.2543
2682
X-RAY DIFFRACTION
100
3.5583-3.7202
0.2794
152
0.2257
2674
X-RAY DIFFRACTION
100
3.7202-3.9162
0.2499
151
0.2029
2656
X-RAY DIFFRACTION
100
3.9162-4.1614
0.2594
154
0.2045
2673
X-RAY DIFFRACTION
100
4.1614-4.4825
0.2297
139
0.1846
2704
X-RAY DIFFRACTION
100
4.4825-4.933
0.2144
144
0.1838
2690
X-RAY DIFFRACTION
100
4.933-5.6457
0.2714
156
0.2045
2684
X-RAY DIFFRACTION
100
5.6457-7.1083
0.2855
141
0.2404
2725
X-RAY DIFFRACTION
100
7.1083-44.6343
0.2192
137
0.1814
2709
X-RAY DIFFRACTION
98
+
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