Resolution: 1.45→42.122 Å / SU ML: 0.33 / σ(F): 1.35 / Phase error: 21.74 / Stereochemistry target values: ML Details: RESIDUES A410-A417 AND B386-395 ARE DISORDERED. DISORDERED REGIONS WERE MODELED STEREOCHEMICALLY
Rfactor
Num. reflection
% reflection
Rfree
0.2079
8964
7.2 %
Rwork
0.1917
-
-
obs
0.1929
124710
99.92 %
Solvent computation
Shrinkage radii: 0.6 Å / VDW probe radii: 0.9 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 61.096 Å2 / ksol: 0.4 e/Å3
Displacement parameters
Biso mean: 18.82 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.955 Å2
0 Å2
-0.1897 Å2
2-
-
6.3048 Å2
0 Å2
3-
-
-
-4.3498 Å2
Refinement step
Cycle: LAST / Resolution: 1.45→42.122 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
6120
0
96
931
7147
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.004
6346
X-RAY DIFFRACTION
f_angle_d
0.62
8581
X-RAY DIFFRACTION
f_dihedral_angle_d
11.799
2355
X-RAY DIFFRACTION
f_chiral_restr
0.038
944
X-RAY DIFFRACTION
f_plane_restr
0.002
1105
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.45-1.4665
0.3054
278
0.3082
3763
X-RAY DIFFRACTION
98
1.4665-1.4837
0.3304
300
0.2896
3855
X-RAY DIFFRACTION
100
1.4837-1.5018
0.2836
279
0.2636
3846
X-RAY DIFFRACTION
100
1.5018-1.5208
0.2746
298
0.2621
3839
X-RAY DIFFRACTION
100
1.5208-1.5409
0.2595
301
0.2333
3846
X-RAY DIFFRACTION
100
1.5409-1.562
0.2661
311
0.2445
3851
X-RAY DIFFRACTION
100
1.562-1.5843
0.2664
318
0.2428
3790
X-RAY DIFFRACTION
100
1.5843-1.6079
0.2504
285
0.2259
3891
X-RAY DIFFRACTION
100
1.6079-1.6331
0.2311
279
0.2213
3881
X-RAY DIFFRACTION
100
1.6331-1.6598
0.2545
294
0.2162
3851
X-RAY DIFFRACTION
100
1.6598-1.6885
0.2268
293
0.2093
3829
X-RAY DIFFRACTION
100
1.6885-1.7192
0.2243
322
0.2054
3863
X-RAY DIFFRACTION
100
1.7192-1.7522
0.2218
302
0.2038
3835
X-RAY DIFFRACTION
100
1.7522-1.788
0.2328
288
0.1994
3842
X-RAY DIFFRACTION
100
1.788-1.8269
0.2345
288
0.1943
3898
X-RAY DIFFRACTION
100
1.8269-1.8694
0.2127
317
0.1936
3824
X-RAY DIFFRACTION
100
1.8694-1.9161
0.2226
296
0.188
3870
X-RAY DIFFRACTION
100
1.9161-1.9679
0.2145
292
0.1867
3840
X-RAY DIFFRACTION
100
1.9679-2.0258
0.2039
297
0.1793
3888
X-RAY DIFFRACTION
100
2.0258-2.0912
0.1903
318
0.174
3820
X-RAY DIFFRACTION
100
2.0912-2.166
0.1989
313
0.1742
3878
X-RAY DIFFRACTION
100
2.166-2.2527
0.1981
298
0.1729
3842
X-RAY DIFFRACTION
100
2.2527-2.3552
0.1994
310
0.1751
3866
X-RAY DIFFRACTION
100
2.3552-2.4793
0.1863
296
0.1818
3858
X-RAY DIFFRACTION
100
2.4793-2.6347
0.2051
293
0.1879
3879
X-RAY DIFFRACTION
100
2.6347-2.838
0.1981
312
0.1872
3852
X-RAY DIFFRACTION
100
2.838-3.1236
0.2051
320
0.1811
3861
X-RAY DIFFRACTION
100
3.1236-3.5753
0.1828
294
0.1705
3914
X-RAY DIFFRACTION
100
3.5753-4.5037
0.1579
293
0.158
3899
X-RAY DIFFRACTION
100
4.5037-42.1399
0.2092
279
0.209
3975
X-RAY DIFFRACTION
100
+
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