Resolution: 1.7→14.91 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.942 / SU B: 2.121 / SU ML: 0.07 / Cross valid method: THROUGHOUT / ESU R: 0.1 / ESU R Free: 0.101 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2357
3853
5 %
RANDOM
Rwork
0.20236
-
-
-
all
0.20404
73565
-
-
obs
0.20404
73565
100 %
-
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: 23.968 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.03 Å2
0 Å2
0 Å2
2-
-
-0.03 Å2
0 Å2
3-
-
-
0 Å2
Refinement step
Cycle: LAST / Resolution: 1.7→14.91 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4189
0
51
324
4564
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.02
0.021
4320
X-RAY DIFFRACTION
r_angle_refined_deg
1.876
1.908
5873
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.428
5
511
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
32.643
24.844
225
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.68
15
675
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.582
15
13
X-RAY DIFFRACTION
r_chiral_restr
0.135
0.2
568
X-RAY DIFFRACTION
r_gen_planes_refined
0.009
0.02
3363
X-RAY DIFFRACTION
r_nbd_refined
0.214
0.2
1932
X-RAY DIFFRACTION
r_nbtor_refined
0.307
0.2
2872
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.179
0.2
282
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.217
0.2
55
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.195
0.2
18
X-RAY DIFFRACTION
r_mcbond_it
1.337
1.5
2587
X-RAY DIFFRACTION
r_mcangle_it
2.173
2
4052
X-RAY DIFFRACTION
r_scbond_it
2.929
3
2056
X-RAY DIFFRACTION
r_scangle_it
4.251
4.5
1818
Refine LS restraints NCS
Dom-ID: 1 / Refine-ID: X-RAY DIFFRACTION
Ens-ID
Auth asym-ID
Number
Type
Rms dev position (Å)
Weight position
1
A
513
mediumpositional
0.24
0.5
2
B
947
mediumpositional
0.44
0.5
1
A
516
loosepositional
0.64
5
1
A
513
mediumthermal
2.59
2
2
B
947
mediumthermal
2.87
2
1
A
516
loosethermal
3.05
10
LS refinement shell
Resolution: 1.7→1.744 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.325
270
-
Rwork
0.273
5312
-
obs
-
-
100 %
+
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