解像度: 2.8→53.546 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.89 / SU B: 17.06 / SU ML: 0.335 / 交差検証法: FREE R-VALUE / ESU R Free: 0.462 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2669
231
10.022 %
Rwork
0.2308
2074
-
all
0.234
-
-
obs
-
2305
99.353 %
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: 61.244 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.548 Å2
-0.774 Å2
-0 Å2
2-
-
-1.548 Å2
0 Å2
3-
-
-
5.021 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.8→53.546 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
734
0
0
2
736
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.002
0.013
746
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
696
X-RAY DIFFRACTION
r_angle_refined_deg
1.234
1.628
1017
X-RAY DIFFRACTION
r_angle_other_deg
1.04
1.566
1614
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.762
5
99
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.714
25.517
29
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.204
15
115
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
10.332
15
1
X-RAY DIFFRACTION
r_chiral_restr
0.03
0.2
110
X-RAY DIFFRACTION
r_gen_planes_refined
0.002
0.02
845
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
138
X-RAY DIFFRACTION
r_nbd_refined
0.168
0.2
137
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.161
0.2
625
X-RAY DIFFRACTION
r_nbtor_refined
0.141
0.2
359
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.106
0.2
345
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.073
0.2
14
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.1
0.2
12
X-RAY DIFFRACTION
r_nbd_other
0.162
0.2
29
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.219
0.2
6
X-RAY DIFFRACTION
r_mcbond_it
2.205
6.624
399
X-RAY DIFFRACTION
r_mcbond_other
2.194
6.621
398
X-RAY DIFFRACTION
r_mcangle_it
3.867
9.928
497
X-RAY DIFFRACTION
r_mcangle_other
3.867
9.93
498
X-RAY DIFFRACTION
r_scbond_it
1.79
6.833
347
X-RAY DIFFRACTION
r_scbond_other
1.785
6.83
346
X-RAY DIFFRACTION
r_scangle_it
3.213
10.168
520
X-RAY DIFFRACTION
r_scangle_other
3.214
10.167
520
X-RAY DIFFRACTION
r_lrange_it
6.299
80.42
755
X-RAY DIFFRACTION
r_lrange_other
6.303
80.337
754
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20