構造決定の手法: 分子置換 / 解像度: 2.8→48.739 Å / Cor.coef. Fo:Fc: 0.932 / Cor.coef. Fo:Fc free: 0.911 / SU B: 36.246 / SU ML: 0.304 / 交差検証法: THROUGHOUT / ESU R: 0.948 / ESU R Free: 0.355 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2607
1674
5 %
Rwork
0.2104
31803
-
all
0.213
-
-
obs
-
33477
98.889 %
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: 1.2 Å / 溶媒モデル: MASK BULK SOLVENT
原子変位パラメータ
Biso mean: 74.69 Å2
Baniso -1
Baniso -2
Baniso -3
1-
3.195 Å2
-0 Å2
6.89 Å2
2-
-
-9.174 Å2
0 Å2
3-
-
-
-0.204 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.8→48.739 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
7018
0
192
14
7224
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.012
7390
X-RAY DIFFRACTION
r_bond_other_d
0.003
0.016
6848
X-RAY DIFFRACTION
r_angle_refined_deg
1.581
1.691
10082
X-RAY DIFFRACTION
r_angle_other_deg
0.793
1.612
15726
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.862
5
908
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
10.829
5
46
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.272
10
1108
X-RAY DIFFRACTION
r_dihedral_angle_6_deg
15.431
10
302
X-RAY DIFFRACTION
r_chiral_restr
0.059
0.2
1143
X-RAY DIFFRACTION
r_chiral_restr_other
1.203
0.2
60
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
8546
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
1634
X-RAY DIFFRACTION
r_nbd_refined
0.227
0.2
1429
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.2
0.2
6537
X-RAY DIFFRACTION
r_nbtor_refined
0.186
0.2
3649
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.084
0.2
3876
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.169
0.2
135
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.036
0.2
2
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.099
0.2
14
X-RAY DIFFRACTION
r_nbd_other
0.19
0.2
32
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.275
0.2
3
X-RAY DIFFRACTION
r_mcbond_it
4.515
5.614
3668
X-RAY DIFFRACTION
r_mcbond_other
4.514
5.613
3667
X-RAY DIFFRACTION
r_mcangle_it
6.707
10.084
4564
X-RAY DIFFRACTION
r_mcangle_other
6.707
10.084
4565
X-RAY DIFFRACTION
r_scbond_it
4.703
5.754
3722
X-RAY DIFFRACTION
r_scbond_other
4.702
5.755
3723
X-RAY DIFFRACTION
r_scangle_it
6.976
10.487
5512
X-RAY DIFFRACTION
r_scangle_other
6.975
10.488
5513
X-RAY DIFFRACTION
r_lrange_it
8.859
52.039
7855
X-RAY DIFFRACTION
r_lrange_other
8.86
52.035
7855
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.103
0.05
4562
X-RAY DIFFRACTION
r_ncsr_local_group_2
0.083
0.05
2603
X-RAY DIFFRACTION
r_ncsr_local_group_3
0.096
0.05
2913
X-RAY DIFFRACTION
r_ncsr_local_group_4
0.101
0.05
2977
Refine LS restraints NCS
Ens-ID
Dom-ID
Auth asym-ID
Refine-ID
タイプ
Rms dev position (Å)
Weight position
1
1
B
X-RAY DIFFRACTION
Localncs
0.10327
0.0501
1
2
B
X-RAY DIFFRACTION
Localncs
0.10327
0.0501
2
3
B
X-RAY DIFFRACTION
Localncs
0.08303
0.05009
2
4
B
X-RAY DIFFRACTION
Localncs
0.08303
0.05009
3
5
B
X-RAY DIFFRACTION
Localncs
0.09638
0.05009
3
6
B
X-RAY DIFFRACTION
Localncs
0.09638
0.05009
4
7
B
X-RAY DIFFRACTION
Localncs
0.10122
0.05008
4
8
B
X-RAY DIFFRACTION
Localncs
0.10122
0.05008
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20