Resolution: 1.9→29.144 Å / SU ML: 0.25 / σ(F): 1.25 / Phase error: 24.27 / Stereochemistry target values: ML Details: RESIDUES 1-2, 23 AND 121 TO 123 ARE DISORDERED IN CHAIN A. RESIDUES 1-4 AND RESIDUES 119 TO 123 ARE DISORDERED IN CHAIN B.
Rfactor
Num. reflection
% reflection
Rfree
0.2404
2040
5 %
Rwork
0.1919
-
-
obs
0.1942
40692
98.67 %
Solvent computation
Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 73.257 Å2 / ksol: 0.385 e/Å3
Displacement parameters
Biso mean: 38.582 Å2
Baniso -1
Baniso -2
Baniso -3
1-
9.9862 Å2
0 Å2
0 Å2
2-
-
2.0881 Å2
0 Å2
3-
-
-
-12.0742 Å2
Refinement step
Cycle: LAST / Resolution: 1.9→29.144 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1787
0
6
169
1962
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.008
1854
X-RAY DIFFRACTION
f_angle_d
1.032
2521
X-RAY DIFFRACTION
f_dihedral_angle_d
12.751
698
X-RAY DIFFRACTION
f_chiral_restr
0.067
327
X-RAY DIFFRACTION
f_plane_restr
0.004
310
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.9-1.9442
0.3075
158
0.294
2561
X-RAY DIFFRACTION
99
1.9442-1.9928
0.2951
141
0.2622
2590
X-RAY DIFFRACTION
99
1.9928-2.0467
0.323
121
0.2356
2623
X-RAY DIFFRACTION
99
2.0467-2.1069
0.292
143
0.2232
2563
X-RAY DIFFRACTION
99
2.1069-2.1749
0.2608
145
0.2249
2631
X-RAY DIFFRACTION
99
2.1749-2.2526
0.2503
130
0.2054
2596
X-RAY DIFFRACTION
99
2.2526-2.3428
0.2689
125
0.1848
2590
X-RAY DIFFRACTION
99
2.3428-2.4493
0.2655
112
0.1866
2609
X-RAY DIFFRACTION
100
2.4493-2.5784
0.2873
134
0.1923
2605
X-RAY DIFFRACTION
99
2.5784-2.7398
0.2814
145
0.1903
2596
X-RAY DIFFRACTION
99
2.7398-2.9512
0.2431
139
0.2013
2588
X-RAY DIFFRACTION
99
2.9512-3.2478
0.244
138
0.1819
2589
X-RAY DIFFRACTION
99
3.2478-3.717
0.221
157
0.1791
2591
X-RAY DIFFRACTION
100
3.717-4.6798
0.1913
135
0.1579
2528
X-RAY DIFFRACTION
97
4.6798-29.1478
0.2168
117
0.2008
2392
X-RAY DIFFRACTION
91
+
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