Resolution: 2.1→11.38 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.923 / SU B: 5.843 / SU ML: 0.154 / Cross valid method: THROUGHOUT / ESU R Free: 0.206 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25504
1084
10 %
RANDOM
Rwork
0.20945
-
-
-
obs
0.21412
9762
99.62 %
-
all
-
10846
-
-
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: 30.878 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0 Å2
2-
-
0 Å2
0 Å2
3-
-
-
0 Å2
Refinement step
Cycle: LAST / Resolution: 2.1→11.38 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1227
0
15
68
1310
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.022
1296
X-RAY DIFFRACTION
r_angle_refined_deg
1.764
2.005
1758
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
9.447
5
165
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
37.111
26.604
53
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
19.727
15
255
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.149
15
3
X-RAY DIFFRACTION
r_chiral_restr
0.102
0.2
207
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
931
X-RAY DIFFRACTION
r_nbd_refined
0.223
0.2
562
X-RAY DIFFRACTION
r_nbtor_refined
0.309
0.2
853
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.164
0.2
73
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.219
0.2
34
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.147
0.2
13
X-RAY DIFFRACTION
r_mcbond_it
1.117
1.5
817
X-RAY DIFFRACTION
r_mcangle_it
1.864
2
1296
X-RAY DIFFRACTION
r_scbond_it
2.365
3
540
X-RAY DIFFRACTION
r_scangle_it
3.759
4.5
456
LS refinement shell
Resolution: 2.1→2.153 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.314
68
-
Rwork
0.258
682
-
obs
-
-
98.94 %
+
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