BIOMOLECULE: 1 SEE REMARK 350 FOR THE PROGRAM GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN ... BIOMOLECULE: 1 SEE REMARK 350 FOR THE PROGRAM GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN THIS ENTRY. AUTHORS STATE THAT THE BIOLOGICAL UNIT OF THIS POLYPEPTIDE IS UNKNOWN.
解像度: 1.32→36.01 Å / Cor.coef. Fo:Fc: 0.915 / Cor.coef. Fo:Fc free: 0.895 / WRfactor Rfree: 0.235 / WRfactor Rwork: 0.225 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.066 / ESU R Free: 0.066 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. Coot, molprobity programs have also been used in refinement
Rfactor
反射数
%反射
Selection details
Rfree
0.26
2750
5.1 %
Consistent with isomorphous data set of NRK1.ADP complex
Rwork
0.242
-
-
-
all
0.243
-
-
-
obs
0.243
53951
93.59 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 9.765 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.17 Å2
0 Å2
0 Å2
2-
-
-0.13 Å2
0 Å2
3-
-
-
-0.04 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.32→36.01 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1587
0
30
142
1759
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.018
0.022
1661
X-RAY DIFFRACTION
r_bond_other_d
0
0.02
1124
X-RAY DIFFRACTION
r_angle_refined_deg
1.48
1.982
2277
X-RAY DIFFRACTION
r_angle_other_deg
3.998
3.002
2752
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.38
5
213
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
31.249
24.737
76
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.044
15
291
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
15.613
15
7
X-RAY DIFFRACTION
r_chiral_restr
0.085
0.2
254
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.02
1834
X-RAY DIFFRACTION
r_gen_planes_other
0.011
0.02
331
X-RAY DIFFRACTION
r_nbd_refined
0.22
0.2
347
X-RAY DIFFRACTION
r_nbd_other
0.229
0.2
1106
X-RAY DIFFRACTION
r_nbtor_refined
0.19
0.2
817
X-RAY DIFFRACTION
r_nbtor_other
0.112
0.2
780
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.146
0.2
118
X-RAY DIFFRACTION
r_metal_ion_refined
0.12
0.2
2
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.179
0.2
10
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.2
0.2
37
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.11
0.2
16
X-RAY DIFFRACTION
r_mcbond_it
1.789
2
984
X-RAY DIFFRACTION
r_mcbond_other
0
2
389
X-RAY DIFFRACTION
r_mcangle_it
2.476
3
1621
X-RAY DIFFRACTION
r_scbond_it
2.249
2
677
X-RAY DIFFRACTION
r_scangle_it
3.043
3
643
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20