構造決定の手法: 分子置換 開始モデル: in house model 解像度: 2.171→49.875 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.93 / SU B: 37.666 / SU ML: 0.368 / 交差検証法: FREE R-VALUE / ESU R: 0.257 / ESU R Free: 0.236 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.3059
1965
5.001 %
Rwork
0.2384
37324
-
all
0.242
-
-
obs
-
39289
99.898 %
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: 77.038 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-8.899 Å2
-0 Å2
-0 Å2
2-
-
8.235 Å2
-0 Å2
3-
-
-
0.664 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.171→49.875 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4451
0
66
23
4540
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.014
0.013
4600
X-RAY DIFFRACTION
r_bond_other_d
0.005
0.017
4356
X-RAY DIFFRACTION
r_angle_refined_deg
1.767
1.66
6227
X-RAY DIFFRACTION
r_angle_other_deg
1.356
1.592
10004
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.611
5
563
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
40.338
24.159
226
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
23.671
15
816
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
25.87
15
18
X-RAY DIFFRACTION
r_chiral_restr
0.073
0.2
605
X-RAY DIFFRACTION
r_gen_planes_refined
0.01
0.02
5138
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
964
X-RAY DIFFRACTION
r_nbd_refined
0.228
0.2
1152
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.221
0.2
4735
X-RAY DIFFRACTION
r_nbtor_refined
0.173
0.2
2192
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.088
0.2
2217
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.157
0.2
112
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.031
0.2
5
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.632
0.2
20
X-RAY DIFFRACTION
r_nbd_other
0.255
0.2
71
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.083
0.2
2
X-RAY DIFFRACTION
r_mcbond_it
5.12
2.915
2267
X-RAY DIFFRACTION
r_mcbond_other
5.116
2.914
2266
X-RAY DIFFRACTION
r_mcangle_it
7.333
6.534
2822
X-RAY DIFFRACTION
r_mcangle_other
7.333
6.537
2823
X-RAY DIFFRACTION
r_scbond_it
7.431
3.571
2333
X-RAY DIFFRACTION
r_scbond_other
7.429
3.571
2334
X-RAY DIFFRACTION
r_scangle_it
10.794
7.634
3404
X-RAY DIFFRACTION
r_scangle_other
10.792
7.634
3402
X-RAY DIFFRACTION
r_lrange_it
12.842
37.26
5183
X-RAY DIFFRACTION
r_lrange_other
12.839
37.247
5183
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20