Resolution: 1.8→41.22 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.953 / Occupancy max: 1 / Occupancy min: 0.3 / SU B: 4.108 / SU ML: 0.061 / Cross valid method: THROUGHOUT / ESU R: 0.05 / ESU R Free: 0.026 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21456
3235
5.1 %
RANDOM
Rwork
0.15665
-
-
-
obs
0.15944
60558
99.82 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parameters
Biso mean: 31.469 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.89 Å2
0 Å2
0 Å2
2-
-
0.66 Å2
0 Å2
3-
-
-
-1.56 Å2
Refinement step
Cycle: LAST / Resolution: 1.8→41.22 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
5008
0
92
555
5655
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.019
5305
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.273
1.99
7203
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.569
5
700
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
37.566
23.976
249
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.647
15
817
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.868
15
45
X-RAY DIFFRACTION
r_chiral_restr
0.084
0.2
808
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.021
4089
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
X-RAY DIFFRACTION
r_scbond_it
X-RAY DIFFRACTION
r_scangle_it
X-RAY DIFFRACTION
r_rigid_bond_restr
2.531
3
5305
X-RAY DIFFRACTION
r_sphericity_free
61.712
5
170
X-RAY DIFFRACTION
r_sphericity_bonded
21.016
5
5594
LS refinement shell
Resolution: 1.8→1.846 Å / Total num. of bins used: 20
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