Resolution: 1.9→24.774 Å / SU ML: 0.23 / σ(F): 1.34 / Phase error: 18.7 / Stereochemistry target values: ML Details: RESIDUES 225 TO 227 AND 438 TO 442 ARE DISORDERED AND NOT INCLUDED IN THE STRUCTURE
Rfactor
Num. reflection
% reflection
Rfree
0.2089
2182
5 %
Rwork
0.1537
-
-
obs
0.1564
43631
93.46 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 35.674 Å2 / ksol: 0.32 e/Å3
Displacement parameters
Biso mean: 17.51 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.2919 Å2
0 Å2
-0.0746 Å2
2-
-
1.4042 Å2
0 Å2
3-
-
-
-1.1123 Å2
Refinement step
Cycle: LAST / Resolution: 1.9→24.774 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4821
0
0
860
5681
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.006
4956
X-RAY DIFFRACTION
f_angle_d
1.012
6787
X-RAY DIFFRACTION
f_dihedral_angle_d
15.996
1698
X-RAY DIFFRACTION
f_chiral_restr
0.063
746
X-RAY DIFFRACTION
f_plane_restr
0.005
892
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.9-1.9413
0.2404
126
0.1783
2418
X-RAY DIFFRACTION
88
1.9413-1.9865
0.2625
130
0.1766
2451
X-RAY DIFFRACTION
89
1.9865-2.0361
0.2298
110
0.1717
2455
X-RAY DIFFRACTION
90
2.0361-2.0912
0.2565
123
0.1637
2528
X-RAY DIFFRACTION
91
2.0912-2.1527
0.2458
145
0.1554
2486
X-RAY DIFFRACTION
91
2.1527-2.2221
0.2049
149
0.1486
2518
X-RAY DIFFRACTION
92
2.2221-2.3015
0.2247
133
0.1583
2559
X-RAY DIFFRACTION
93
2.3015-2.3935
0.2135
131
0.1632
2621
X-RAY DIFFRACTION
94
2.3935-2.5024
0.2331
141
0.159
2612
X-RAY DIFFRACTION
95
2.5024-2.6342
0.2207
152
0.1594
2582
X-RAY DIFFRACTION
95
2.6342-2.799
0.212
145
0.157
2617
X-RAY DIFFRACTION
95
2.799-3.0148
0.227
141
0.1569
2662
X-RAY DIFFRACTION
96
3.0148-3.3175
0.1907
123
0.1495
2688
X-RAY DIFFRACTION
96
3.3175-3.7961
0.1815
145
0.1352
2681
X-RAY DIFFRACTION
96
3.7961-4.777
0.1603
130
0.1203
2775
X-RAY DIFFRACTION
97
4.777-24.776
0.1721
158
0.1503
2796
X-RAY DIFFRACTION
98
+
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