Resolution: 2.498→29.731 Å / SU ML: 0.26 / σ(F): 2.01 / Phase error: 20.18 / Stereochemistry target values: ML Details: TERMINAL RESIDUES 1-DGMTA-5, AS WELL AS 590-RHHHHHH-596 ARE MISSING IN THE DENSITY AND NOT MODELLED. RESIDUES 54-GSPITS-59 ARE WITHIN A DISORDED LOOP.
Rfactor
Num. reflection
% reflection
Rfree
0.2257
1288
5 %
Rwork
0.1589
-
-
obs
0.1622
25732
99.64 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 6.82 Å2 / ksol: 1.14 e/Å3
Displacement parameters
Biso mean: 22 Å2
Refinement step
Cycle: LAST / Resolution: 2.498→29.731 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4491
0
16
241
4748
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.014
4599
X-RAY DIFFRACTION
f_angle_d
1.532
6241
X-RAY DIFFRACTION
f_dihedral_angle_d
16.149
1647
X-RAY DIFFRACTION
f_chiral_restr
0.154
650
X-RAY DIFFRACTION
f_plane_restr
0.006
829
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.4983-2.5983
0.2611
139
0.1738
2640
X-RAY DIFFRACTION
99
2.5983-2.7164
0.2808
140
0.1755
2661
X-RAY DIFFRACTION
100
2.7164-2.8595
0.278
140
0.1867
2654
X-RAY DIFFRACTION
100
2.8595-3.0385
0.2357
141
0.1789
2680
X-RAY DIFFRACTION
100
3.0385-3.2729
0.2582
141
0.1725
2683
X-RAY DIFFRACTION
100
3.2729-3.6017
0.2297
143
0.1704
2701
X-RAY DIFFRACTION
100
3.6017-4.1217
0.204
144
0.148
2736
X-RAY DIFFRACTION
100
4.1217-5.1885
0.1876
146
0.1214
2770
X-RAY DIFFRACTION
100
5.1885-29.7327
0.1995
154
0.1569
2919
X-RAY DIFFRACTION
100
+
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