Method to determine structure: SAD / Resolution: 2.7→55.13 Å / Cor.coef. Fo:Fc: 0.915 / Cor.coef. Fo:Fc free: 0.879 / SU B: 13.103 / SU ML: 0.268 / Cross valid method: THROUGHOUT / ESU R: 0.885 / ESU R Free: 0.356 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27322
455
4.8 %
RANDOM
Rwork
0.22867
-
-
-
obs
0.2307
9026
97.67 %
-
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: 51.647 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.03 Å2
0.51 Å2
-0 Å2
2-
-
1.03 Å2
-0 Å2
3-
-
-
-1.54 Å2
Refinement step
Cycle: LAST / Resolution: 2.7→55.13 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1985
0
0
17
2002
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.005
0.02
2026
X-RAY DIFFRACTION
r_angle_refined_deg
0.946
1.962
2745
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.62
5
241
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
37.631
24.757
103
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.13
15
365
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
14.958
15
12
X-RAY DIFFRACTION
r_chiral_restr
0.061
0.2
302
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.021
1539
LS refinement shell
Resolution: 2.7→2.77 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.316
33
-
Rwork
0.3
609
-
obs
-
-
97.87 %
+
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