解像度: 1.82→47.69 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.927 / SU B: 6.623 / SU ML: 0.097 / 交差検証法: THROUGHOUT / ESU R Free: 0.145 / 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
0.24274
865
5.1 %
RANDOM
Rwork
0.18963
-
-
-
all
0.19262
16253
-
-
obs
0.19239
16234
99.88 %
-
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: 1.4 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 21.016 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.01 Å2
0 Å2
0 Å2
2-
-
-1.15 Å2
0 Å2
3-
-
-
1.14 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.82→47.69 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1564
0
24
71
1659
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.01
0.021
1669
X-RAY DIFFRACTION
r_angle_refined_deg
1.241
1.948
2268
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.548
5
221
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
38.131
24.444
72
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.382
15
246
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.411
15
5
X-RAY DIFFRACTION
r_chiral_restr
0.091
0.2
241
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.021
1301
X-RAY DIFFRACTION
r_mcbond_it
0.569
1.5
1068
X-RAY DIFFRACTION
r_mcangle_it
1.007
2
1711
X-RAY DIFFRACTION
r_scbond_it
1.565
3
601
X-RAY DIFFRACTION
r_scangle_it
2.489
4.5
553
LS精密化 シェル
解像度: 1.82→1.867 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.275
62
-
Rwork
0.199
1137
-
obs
-
-
98.68 %
精密化 TLS
手法: refined / Origin x: -2.1439 Å / Origin y: 10.7082 Å / Origin z: -18.9336 Å