Resolution: 3.65→54.73 Å / SU ML: 0.44 / σ(F): 1.99 / Phase error: 23.08 / Stereochemistry target values: ML Details: THE FOLLOWING RESIDUES ARE DISORDERED K786 TO A840, F873 TO I882. SIDE-CHAINS OF THE FOLLOWING RESIDUES WERE TRUNCATED AT CB ATOMS: Y871, L872. PDB ENTRY 2YHA WAS USED AS A REFERENCE MODEL
Rfactor
Num. reflection
% reflection
Rfree
0.252
585
4.9 %
Rwork
0.233
-
-
obs
0.234
12012
96.1 %
Solvent computation
Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 61.63 Å2 / ksol: 0.35 e/Å3
Displacement parameters
Biso mean: 99.78 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.8575 Å2
0 Å2
0 Å2
2-
-
-1.8575 Å2
0 Å2
3-
-
-
3.7149 Å2
Refinement step
Cycle: LAST / Resolution: 3.65→54.73 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2880
0
11
0
2891
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.015
3087
X-RAY DIFFRACTION
f_angle_d
1.244
4007
X-RAY DIFFRACTION
f_dihedral_angle_d
12.603
1090
X-RAY DIFFRACTION
f_chiral_restr
0.076
445
X-RAY DIFFRACTION
f_plane_restr
0.006
516
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
3.6502-4.0175
0.3206
159
0.2718
2763
X-RAY DIFFRACTION
96
4.0175-4.5986
0.261
143
0.2375
2811
X-RAY DIFFRACTION
96
4.5986-5.7927
0.2271
129
0.222
2887
X-RAY DIFFRACTION
97
5.7927-54.7336
0.235
154
0.2225
2966
X-RAY DIFFRACTION
95
+
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