解像度: 1.65→48.39 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.947 / SU B: 3.304 / SU ML: 0.053 / 交差検証法: THROUGHOUT / ESU R Free: 0.092 / 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
0.20318
2124
5.1 %
RANDOM
Rwork
0.16878
-
-
-
obs
0.1706
39922
99.76 %
-
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: 18.602 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.01 Å2
0 Å2
-0 Å2
2-
-
-0.05 Å2
-0 Å2
3-
-
-
0.04 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.65→48.39 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2450
0
85
217
2752
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.025
0.022
2750
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
2.123
2.01
3754
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.938
5
332
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.567
23.852
122
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.922
15
458
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
15.234
15
17
X-RAY DIFFRACTION
r_chiral_restr
0.306
0.2
401
X-RAY DIFFRACTION
r_gen_planes_refined
0.013
0.021
2117
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
1.189
1.5
1630
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.804
2
2655
X-RAY DIFFRACTION
r_scbond_it
2.805
3
1120
X-RAY DIFFRACTION
r_scangle_it
4.11
4.5
1097
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: 1.647→1.689 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.267
134
-
Rwork
0.212
2824
-
obs
-
-
96.98 %
精密化 TLS
手法: refined / Origin x: 6.237 Å / Origin y: -5.446 Å / Origin z: -10.824 Å