解像度: 2.61→7.97 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.921 / SU B: 7.97 / SU ML: 0.167 / Isotropic thermal model: Isotropic. / 交差検証法: THROUGHOUT / ESU R Free: 0.294 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
反射数
%反射
Selection details
Rfree
0.19986
1025
10.2 %
RANDOM
Rwork
0.13008
-
-
-
all
0.13713
10782
-
-
obs
0.13713
8978
93.42 %
-
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: 19.14 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.18 Å2
-0 Å2
0 Å2
2-
-
0.01 Å2
-0 Å2
3-
-
-
-0.19 Å2
Refine analyze
Luzzati coordinate error obs: 0.24 Å
精密化ステップ
サイクル: LAST / 解像度: 2.61→7.97 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2438
0
0
104
2542
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.02
2499
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.795
1.947
3427
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.073
5
325
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
37.067
25.981
107
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.906
15
350
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
27.853
15
3
X-RAY DIFFRACTION
r_chiral_restr
0.112
0.2
391
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.021
1944
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
X-RAY DIFFRACTION
r_scbond_it
X-RAY DIFFRACTION
r_scangle_it
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS精密化 シェル
最高解像度: 2.61 Å / Num. reflection Rwork: 391 / Total num. of bins used: 20