構造決定の手法: 分子置換 / 解像度: 2.3→49.416 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.931 / SU B: 20.037 / SU ML: 0.208 / 交差検証法: THROUGHOUT / ESU R: 0.365 / ESU R Free: 0.248 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2533
693
4.99 %
Rwork
0.2045
13196
-
all
0.207
-
-
obs
-
13889
99.993 %
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: 57.484 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.099 Å2
0 Å2
0 Å2
2-
-
0.533 Å2
-0 Å2
3-
-
-
-0.434 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.3→49.416 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2221
0
47
24
2292
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.003
0.011
2357
X-RAY DIFFRACTION
r_bond_other_d
0.004
0.016
2048
X-RAY DIFFRACTION
r_angle_refined_deg
0.958
1.631
3205
X-RAY DIFFRACTION
r_angle_other_deg
0.373
1.57
4669
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.512
5
294
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
10.631
6.6
25
X-RAY DIFFRACTION
r_dihedral_angle_other_2_deg
0.034
10
2
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.488
10
304
X-RAY DIFFRACTION
r_dihedral_angle_6_deg
17.591
10
100
X-RAY DIFFRACTION
r_chiral_restr
0.047
0.2
318
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.02
2854
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
638
X-RAY DIFFRACTION
r_nbd_refined
0.18
0.2
343
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.194
0.2
1721
X-RAY DIFFRACTION
r_nbtor_refined
0.184
0.2
1091
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.081
0.2
1197
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.108
0.2
62
X-RAY DIFFRACTION
r_metal_ion_refined
0.14
0.2
11
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.131
0.2
18
X-RAY DIFFRACTION
r_nbd_other
0.219
0.2
82
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.176
0.2
5
X-RAY DIFFRACTION
r_mcbond_it
1.387
3.732
1182
X-RAY DIFFRACTION
r_mcbond_other
1.386
3.733
1182
X-RAY DIFFRACTION
r_mcangle_it
2.317
6.703
1468
X-RAY DIFFRACTION
r_mcangle_other
2.316
6.704
1469
X-RAY DIFFRACTION
r_scbond_it
1.877
3.941
1175
X-RAY DIFFRACTION
r_scbond_other
1.876
3.942
1176
X-RAY DIFFRACTION
r_scangle_it
3.206
7.16
1735
X-RAY DIFFRACTION
r_scangle_other
3.205
7.16
1736
X-RAY DIFFRACTION
r_lrange_it
4.99
39.341
2515
X-RAY DIFFRACTION
r_lrange_other
4.989
39.342
2516
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.077
0.05
3047
X-RAY DIFFRACTION
r_ncsr_local_group_2
0.106
0.05
2101
X-RAY DIFFRACTION
r_ncsr_local_group_3
0.11
0.05
2056
Refine LS restraints NCS
Ens-ID
Dom-ID
Auth asym-ID
Refine-ID
タイプ
Rms dev position (Å)
Weight position
1
1
A
X-RAY DIFFRACTION
Localncs
0.0774
0.0501
1
2
A
X-RAY DIFFRACTION
Localncs
0.0774
0.0501
2
3
A
X-RAY DIFFRACTION
Localncs
0.10628
0.05009
2
4
A
X-RAY DIFFRACTION
Localncs
0.10628
0.05009
3
5
A
X-RAY DIFFRACTION
Localncs
0.11035
0.05009
3
6
A
X-RAY DIFFRACTION
Localncs
0.11035
0.05009
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20