解像度: 2.3→50 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.923 / SU B: 13.24 / SU ML: 0.159 / 交差検証法: THROUGHOUT / ESU R: 0.301 / ESU R Free: 0.228 / 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
0.24387
835
5.1 %
RANDOM
Rwork
0.1947
-
-
-
obs
0.19707
15615
99.98 %
-
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: 40.229 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.19 Å2
0 Å2
0 Å2
2-
-
-0.19 Å2
0 Å2
3-
-
-
0.38 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.3→50 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2361
0
0
102
2463
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.007
0.019
2434
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.179
1.986
3306
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.467
5
302
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
33.983
23.084
107
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.312
15
439
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.28
15
23
X-RAY DIFFRACTION
r_chiral_restr
0.076
0.2
373
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.021
1815
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
解像度: 2.3→2.36 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.294
67
-
Rwork
0.273
955
-
obs
-
-
100 %
精密化 TLS
手法: refined / Origin x: 9.6917 Å / Origin y: -19.322 Å / Origin z: -7.2574 Å