解像度: 2.14→19.94 Å / Cor.coef. Fo:Fc: 0.968 / SU B: 2.947 / SU ML: 0.078 / 交差検証法: THROUGHOUT / ESU R: 0.193 / 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
0.18
1927
5.1 %
RANDOM
Rwork
0.15899
-
-
-
obs
0.15899
38098
92.8 %
-
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: 32.598 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.12 Å2
-0.06 Å2
0 Å2
2-
-
-0.12 Å2
0 Å2
3-
-
-
0.19 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.14→19.94 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4378
0
40
504
4922
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.012
0.022
4867
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.279
1.959
6687
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.354
5
640
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
33.112
23.744
219
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.026
15
726
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
15.28
15
37
X-RAY DIFFRACTION
r_chiral_restr
0.088
0.2
743
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
3854
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.202
0.2
2323
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
0.305
0.2
3301
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.138
0.2
547
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
0.218
0.2
67
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.146
0.2
31
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
0.634
1.5
3151
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.08
2
5006
X-RAY DIFFRACTION
r_scbond_it
1.648
3
1949
X-RAY DIFFRACTION
r_scangle_it
2.687
4.5
1681
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: 2.14→2.195 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rwork
0.194
2529
-
Rfree
-
0
-
obs
-
-
85.93 %
精密化 TLS
手法: refined / Origin x: 15.808 Å / Origin y: 64.846 Å / Origin z: -0.254 Å