Resolution: 2.6→40.33 Å / Data cutoff high absF: 100000 / Data cutoff low absF: 0.1 / Isotropic thermal model: GROUPED / Cross valid method: THROUGHOUT / σ(F): 2 Details: A BULK SOLVENT CORRECTION WAS APPLIED USING X-PLOR V3.1. RESIDUES 16 - 246 (CHAINS A AND B) REPRESENT THE TWO MOLECULES PRESENT IN THE ASYMMETRIC UNIT. A CHAIN BREAK OCCURS IN EACH MOLECULE ...Details: A BULK SOLVENT CORRECTION WAS APPLIED USING X-PLOR V3.1. RESIDUES 16 - 246 (CHAINS A AND B) REPRESENT THE TWO MOLECULES PRESENT IN THE ASYMMETRIC UNIT. A CHAIN BREAK OCCURS IN EACH MOLECULE AT THR 147. RESIDUE ARG 148 AT A PROTEOLYTIC CLEAVAGE SITE IS DISORDERED AND MISSING FROM THE ELECTRON DENSITY.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.271
785
5 %
RANDOM
Rwork
0.197
-
-
-
obs
0.197
16364
95.3 %
-
Refinement step
Cycle: LAST / Resolution: 2.6→40.33 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3630
0
56
119
3805
Refine LS restraints
Refine-ID
Type
Dev ideal
X-RAY DIFFRACTION
x_bond_d
0.008
X-RAY DIFFRACTION
x_bond_d_na
X-RAY DIFFRACTION
x_bond_d_prot
X-RAY DIFFRACTION
x_angle_d
X-RAY DIFFRACTION
x_angle_d_na
X-RAY DIFFRACTION
x_angle_d_prot
X-RAY DIFFRACTION
x_angle_deg
1.74
X-RAY DIFFRACTION
x_angle_deg_na
X-RAY DIFFRACTION
x_angle_deg_prot
X-RAY DIFFRACTION
x_dihedral_angle_d
24.8
X-RAY DIFFRACTION
x_dihedral_angle_d_na
X-RAY DIFFRACTION
x_dihedral_angle_d_prot
X-RAY DIFFRACTION
x_improper_angle_d
1.279
X-RAY DIFFRACTION
x_improper_angle_d_na
X-RAY DIFFRACTION
x_improper_angle_d_prot
X-RAY DIFFRACTION
x_mcbond_it
X-RAY DIFFRACTION
x_mcangle_it
X-RAY DIFFRACTION
x_scbond_it
X-RAY DIFFRACTION
x_scangle_it
Refine LS restraints NCS
NCS model details: RESTRAINTS
LS refinement shell
Resolution: 2.6→2.72 Å / Total num. of bins used: 8
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