解像度: 2.4→63.89 Å / Cor.coef. Fo:Fc: 0.938 / Cor.coef. Fo:Fc free: 0.879 / SU B: 24.781 / SU ML: 0.255 / 交差検証法: THROUGHOUT / ESU R: 0.531 / ESU R Free: 0.315 / 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
0.28985
1086
5.1 %
RANDOM
Rwork
0.22266
-
-
-
obs
0.22607
20059
99.8 %
-
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: 59.1 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.56 Å2
0.28 Å2
0 Å2
2-
-
0.56 Å2
0 Å2
3-
-
-
-0.84 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.4→63.89 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3735
195
11
31
3972
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.022
4050
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.21
2.012
5532
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.169
5
475
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
32.145
23.296
179
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.94
15
624
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.335
15
27
X-RAY DIFFRACTION
r_chiral_restr
0.075
0.2
611
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.021
3039
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
0.456
1.5
2366
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
0.874
2
3803
X-RAY DIFFRACTION
r_scbond_it
1.336
3
1684
X-RAY DIFFRACTION
r_scangle_it
2.053
4.5
1729
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: 2.4→2.462 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.464
85
-
Rwork
0.359
1428
-
obs
-
-
98.44 %
精密化 TLS
手法: refined / Origin x: 19.5395 Å / Origin y: 26.5422 Å / Origin z: 24.7973 Å