解像度: 1.68→47.508 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.949 / SU B: 1.953 / SU ML: 0.065 / 交差検証法: THROUGHOUT / ESU R: 0.099 / ESU R Free: 0.096 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2007
1529
4.907 %
Rwork
0.1704
29630
-
all
0.172
-
-
obs
-
29630
99.734 %
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: 21.632 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.178 Å2
0 Å2
0 Å2
2-
-
1.624 Å2
0 Å2
3-
-
-
-0.446 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.68→47.508 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2030
0
7
207
2244
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.005
0.013
2182
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
2035
X-RAY DIFFRACTION
r_angle_refined_deg
1.27
1.647
2986
X-RAY DIFFRACTION
r_angle_other_deg
1.302
1.566
4722
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.806
5
289
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
30.01
20.787
127
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.112
15
368
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
12.681
15
21
X-RAY DIFFRACTION
r_chiral_restr
0.066
0.2
285
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
2499
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
500
X-RAY DIFFRACTION
r_nbd_refined
0.193
0.2
411
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.171
0.2
1927
X-RAY DIFFRACTION
r_nbtor_refined
0.163
0.2
1056
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.092
0.2
894
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.257
0.2
170
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.02
0.2
1
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.153
0.2
15
X-RAY DIFFRACTION
r_nbd_other
0.201
0.2
54
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.197
0.2
24
X-RAY DIFFRACTION
r_mcbond_it
1.064
2.091
1057
X-RAY DIFFRACTION
r_mcbond_other
1.061
2.088
1056
X-RAY DIFFRACTION
r_mcangle_it
1.745
3.129
1328
X-RAY DIFFRACTION
r_mcangle_other
1.745
3.132
1329
X-RAY DIFFRACTION
r_scbond_it
1.77
2.355
1125
X-RAY DIFFRACTION
r_scbond_other
1.769
2.353
1122
X-RAY DIFFRACTION
r_scangle_it
2.816
3.443
1641
X-RAY DIFFRACTION
r_scangle_other
2.815
3.444
1642
X-RAY DIFFRACTION
r_lrange_it
5.148
40.428
9215
X-RAY DIFFRACTION
r_lrange_other
4.839
39.98
9042
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20