解像度: 3.44→20 Å / Cor.coef. Fo:Fc: 0.923 / Cor.coef. Fo:Fc free: 0.866 / SU B: 75.132 / SU ML: 0.544 / SU Rfree: 0.666 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R Free: 0.666 / 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
0.31839
605
7.5 %
RANDOM
Rwork
0.24224
-
-
-
obs
0.24779
7452
99.37 %
-
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: 73.016 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.31 Å2
0.16 Å2
0 Å2
2-
-
0.31 Å2
0 Å2
3-
-
-
-0.47 Å2
精密化ステップ
サイクル: LAST / 解像度: 3.44→20 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2600
0
0
0
2600
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.006
0.021
2659
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
0.863
1.942
3608
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.039
5
323
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.843
24.545
121
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.643
15
472
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
12.799
15
12
X-RAY DIFFRACTION
r_chiral_restr
0.062
0.2
412
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.021
1977
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
0.385
1.5
1617
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
0.704
2
2633
X-RAY DIFFRACTION
r_scbond_it
0.489
3
1042
X-RAY DIFFRACTION
r_scangle_it
0.891
4.5
975
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: 3.444→3.531 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.353
44
-
Rwork
0.303
480
-
obs
-
-
91.13 %
精密化 TLS
手法: refined / Origin x: -12.8283 Å / Origin y: 34.1965 Å / Origin z: -16.3986 Å