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: 1.9→23.64 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.927 / WRfactor Rfree: 0.218 / WRfactor Rwork: 0.188 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.16 / ESU R Free: 0.149 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. Prodrg, arp/warp, coot, molprobity programs have also been used in refinement
Rfactor
反射数
%反射
Selection details
Rfree
0.255
1031
5.2 %
Reflections from isomorphous data of NRK1-ADP complex
Rwork
0.217
-
-
-
all
0.219
-
-
-
obs
-
19721
98.63 %
-
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: 21.061 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.03 Å2
0 Å2
0 Å2
2-
-
0.28 Å2
0 Å2
3-
-
-
-0.31 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.9→23.64 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1559
0
35
103
1697
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.022
1629
X-RAY DIFFRACTION
r_bond_other_d
0
0.02
1108
X-RAY DIFFRACTION
r_angle_refined_deg
1.323
1.982
2220
X-RAY DIFFRACTION
r_angle_other_deg
4.119
3.002
2694
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.757
5
196
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
30.625
24.545
77
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.255
15
284
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.199
15
8
X-RAY DIFFRACTION
r_chiral_restr
0.079
0.2
242
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
1776
X-RAY DIFFRACTION
r_gen_planes_other
0.007
0.02
326
X-RAY DIFFRACTION
r_nbd_refined
0.196
0.2
299
X-RAY DIFFRACTION
r_nbd_other
0.228
0.2
1006
X-RAY DIFFRACTION
r_nbtor_refined
0.177
0.2
748
X-RAY DIFFRACTION
r_nbtor_other
0.108
0.2
673
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.123
0.2
77
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.156
0.2
7
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.168
0.2
26
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.117
0.2
9
X-RAY DIFFRACTION
r_mcbond_it
2.069
2
955
X-RAY DIFFRACTION
r_mcbond_other
0
2
379
X-RAY DIFFRACTION
r_mcangle_it
2.84
3
1566
X-RAY DIFFRACTION
r_scbond_it
2.156
2
674
X-RAY DIFFRACTION
r_scangle_it
2.905
3
649
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20