Resolution: 2.06→19.5 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 1242127.76 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 1 / Stereochemistry target values: Engh & Huber Details: CNS 1.0 followed by REFMAC was used for refinement.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.257
1401
9.8 %
RANDOM
Rwork
0.197
-
-
-
all
-
15933
-
-
obs
-
14319
98.2 %
-
Displacement parameters
Biso mean: 30.3 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.73 Å2
0 Å2
0 Å2
2-
-
4.05 Å2
0 Å2
3-
-
-
-6.78 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.2 Å
0.21 Å
Luzzati d res low
-
5 Å
Luzzati sigma a
0.08 Å
0.11 Å
Refinement step
Cycle: LAST / Resolution: 2.06→19.5 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1448
0
0
274
1722
Refine LS restraints
Refine-ID
Type
Dev ideal
X-RAY DIFFRACTION
c_bond_d
0.011
X-RAY DIFFRACTION
c_angle_d
2.4
X-RAY DIFFRACTION
c_dihedral_angle_d
23.9
X-RAY DIFFRACTION
c_improper_angle_d
3.03
LS refinement shell
Resolution: 2.06→2.19 Å / Rfactor Rfree error: 0.014 / Total num. of bins used: 6
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