解像度: 1.67→45.7 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.951 / SU B: 2.582 / SU ML: 0.082 / 交差検証法: THROUGHOUT / ESU R: 0.102 / ESU R Free: 0.098 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2043
1447
4.8 %
Rwork
0.1747
28407
-
all
0.176
-
-
obs
-
28407
99.275 %
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: BABINET MODEL PLUS MASK
原子変位パラメータ
Biso mean: 30.458 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.126 Å2
0 Å2
0 Å2
2-
-
0.817 Å2
0 Å2
3-
-
-
0.309 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.67→45.7 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2020
0
28
182
2230
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.006
0.013
2131
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
1991
X-RAY DIFFRACTION
r_angle_refined_deg
1.366
1.643
2902
X-RAY DIFFRACTION
r_angle_other_deg
1.312
1.565
4609
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.938
5
271
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
30.402
20.769
117
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.647
15
354
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.272
15
19
X-RAY DIFFRACTION
r_chiral_restr
0.073
0.2
277
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
2388
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
477
X-RAY DIFFRACTION
r_nbd_refined
0.191
0.2
409
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.17
0.2
1880
X-RAY DIFFRACTION
r_nbtor_refined
0.166
0.2
1042
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.079
0.2
1003
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.202
0.2
158
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.072
0.2
2
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.178
0.2
13
X-RAY DIFFRACTION
r_nbd_other
0.179
0.2
52
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.448
0.2
24
X-RAY DIFFRACTION
r_xyhbond_nbd_other
0.074
0.2
1
X-RAY DIFFRACTION
r_mcbond_it
1.582
2.983
1037
X-RAY DIFFRACTION
r_mcbond_other
1.582
2.981
1036
X-RAY DIFFRACTION
r_mcangle_it
2.282
4.47
1299
X-RAY DIFFRACTION
r_mcangle_other
2.281
4.473
1300
X-RAY DIFFRACTION
r_scbond_it
2.603
3.359
1094
X-RAY DIFFRACTION
r_scbond_other
2.601
3.361
1095
X-RAY DIFFRACTION
r_scangle_it
3.915
4.904
1594
X-RAY DIFFRACTION
r_scangle_other
3.914
4.906
1595
X-RAY DIFFRACTION
r_lrange_it
5.156
36.579
2413
X-RAY DIFFRACTION
r_lrange_other
5.155
36.591
2414
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20