構造決定の手法: 分子置換 / 解像度: 2.25→47.58 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.914 / SU B: 19.827 / SU ML: 0.213 / 交差検証法: THROUGHOUT / ESU R: 0.347 / ESU R Free: 0.248 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2685
731
4.991 %
Rwork
0.2218
13915
-
all
0.224
-
-
obs
-
14646
99.857 %
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: 53.339 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.241 Å2
-0 Å2
0 Å2
2-
-
0.147 Å2
-0 Å2
3-
-
-
0.094 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.25→47.58 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2185
0
41
18
2244
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.002
0.011
2323
X-RAY DIFFRACTION
r_bond_other_d
0.004
0.016
1979
X-RAY DIFFRACTION
r_angle_refined_deg
0.758
1.636
3166
X-RAY DIFFRACTION
r_angle_other_deg
0.309
1.57
4519
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.003
5
300
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
6.687
7.105
19
X-RAY DIFFRACTION
r_dihedral_angle_other_2_deg
0.028
10
2
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
10.903
10
259
X-RAY DIFFRACTION
r_dihedral_angle_6_deg
16.06
10
90
X-RAY DIFFRACTION
r_chiral_restr
0.038
0.2
320
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
2796
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
596
X-RAY DIFFRACTION
r_nbd_refined
0.159
0.2
355
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.192
0.2
1672
X-RAY DIFFRACTION
r_nbtor_refined
0.179
0.2
1082
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.082
0.2
1158
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.12
0.2
60
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.01
0.2
1
X-RAY DIFFRACTION
r_metal_ion_refined
0.175
0.2
11
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.146
0.2
25
X-RAY DIFFRACTION
r_nbd_other
0.221
0.2
81
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.165
0.2
10
X-RAY DIFFRACTION
r_mcbond_it
1.068
4.288
1197
X-RAY DIFFRACTION
r_mcbond_other
1.068
4.288
1197
X-RAY DIFFRACTION
r_mcangle_it
1.826
7.694
1486
X-RAY DIFFRACTION
r_mcangle_other
1.826
7.695
1487
X-RAY DIFFRACTION
r_scbond_it
1.379
4.345
1126
X-RAY DIFFRACTION
r_scbond_other
1.379
4.346
1127
X-RAY DIFFRACTION
r_scangle_it
2.297
7.961
1676
X-RAY DIFFRACTION
r_scangle_other
2.296
7.961
1677
X-RAY DIFFRACTION
r_lrange_it
3.768
47.293
2485
X-RAY DIFFRACTION
r_lrange_other
3.767
47.293
2486
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.078
0.05
3050
X-RAY DIFFRACTION
r_ncsr_local_group_2
0.067
0.05
2108
X-RAY DIFFRACTION
r_ncsr_local_group_3
0.074
0.05
2130
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
0.0781
0.05011
1
2
A
X-RAY DIFFRACTION
Localncs
0.0781
0.05011
2
3
A
X-RAY DIFFRACTION
Localncs
0.06731
0.0501
2
4
A
X-RAY DIFFRACTION
Localncs
0.06731
0.0501
3
5
A
X-RAY DIFFRACTION
Localncs
0.07448
0.05009
3
6
A
X-RAY DIFFRACTION
Localncs
0.07448
0.05009
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20