解像度: 1.93→46.86 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.929 / SU B: 3.467 / SU ML: 0.099 / 交差検証法: THROUGHOUT / ESU R: 0.155 / ESU R Free: 0.148 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.23352
5368
5 %
RANDOM
Rwork
0.18779
-
-
-
obs
0.19004
101816
97.99 %
-
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
原子変位パラメータ
Biso mean: 26.295 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.15 Å2
-0 Å2
0.28 Å2
2-
-
0.64 Å2
0 Å2
3-
-
-
0.22 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.93→46.86 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
10052
0
132
304
10488
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.018
0.019
10396
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
9970
X-RAY DIFFRACTION
r_angle_refined_deg
1.905
1.96
14103
X-RAY DIFFRACTION
r_angle_other_deg
0.881
3
22944
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.748
5
1324
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
40.039
24.615
416
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.665
15
1724
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
23.16
15
40
X-RAY DIFFRACTION
r_chiral_restr
0.117
0.2
1604
X-RAY DIFFRACTION
r_gen_planes_refined
0.009
0.02
11781
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
2334
X-RAY DIFFRACTION
r_mcbond_it
2.207
2.433
5308
X-RAY DIFFRACTION
r_mcbond_other
2.206
2.433
5307
X-RAY DIFFRACTION
r_mcangle_it
2.935
3.64
6628
X-RAY DIFFRACTION
r_mcangle_other
2.935
3.64
6629
X-RAY DIFFRACTION
r_scbond_it
2.946
2.742
5088
X-RAY DIFFRACTION
r_scbond_other
2.942
2.741
5085
X-RAY DIFFRACTION
r_scangle_other
4.403
3.965
7474
X-RAY DIFFRACTION
r_long_range_B_refined
5.285
19.484
11488
X-RAY DIFFRACTION
r_long_range_B_other
5.278
19.465
11412
LS精密化 シェル
解像度: 1.927→1.977 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20