解像度: 2.2→42.004 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.917 / SU B: 11.364 / SU ML: 0.264 / 交差検証法: THROUGHOUT / ESU R: 0.327 / ESU R Free: 0.266 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.303
655
4.929 %
Rwork
0.2327
12634
-
all
0.236
-
-
obs
-
13289
99.305 %
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: 53.947 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-6.475 Å2
-0 Å2
-0 Å2
2-
-
1.083 Å2
-0 Å2
3-
-
-
5.391 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.2→42.004 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1807
0
102
11
1920
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.013
1971
X-RAY DIFFRACTION
r_bond_other_d
0.006
0.018
1803
X-RAY DIFFRACTION
r_angle_refined_deg
1.686
1.716
2679
X-RAY DIFFRACTION
r_angle_other_deg
1.555
1.684
4143
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
8.833
5
251
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
26.438
22.676
71
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.45
15
272
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.58
15
6
X-RAY DIFFRACTION
r_chiral_restr
0.049
0.2
262
X-RAY DIFFRACTION
r_chiral_restr_other
1.609
0.2
34
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
2212
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
416
X-RAY DIFFRACTION
r_nbd_refined
0.196
0.2
369
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.186
0.2
1712
X-RAY DIFFRACTION
r_nbtor_refined
0.175
0.2
974
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.079
0.2
879
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.123
0.2
50
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.199
0.2
7
X-RAY DIFFRACTION
r_nbd_other
0.234
0.2
28
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.184
0.2
3
X-RAY DIFFRACTION
r_mcbond_it
4.119
6.083
1013
X-RAY DIFFRACTION
r_mcbond_other
4.112
6.083
1012
X-RAY DIFFRACTION
r_mcangle_it
6.156
9.121
1261
X-RAY DIFFRACTION
r_mcangle_other
6.155
9.12
1262
X-RAY DIFFRACTION
r_scbond_it
3.627
5.984
958
X-RAY DIFFRACTION
r_scbond_other
3.625
5.983
959
X-RAY DIFFRACTION
r_scangle_it
5.391
8.923
1418
X-RAY DIFFRACTION
r_scangle_other
5.39
8.922
1419
X-RAY DIFFRACTION
r_lrange_it
7.949
70.418
2117
X-RAY DIFFRACTION
r_lrange_other
7.949
70.417
2117
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20