解像度: 2.9→24.57 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.918 / SU B: 46.321 / SU ML: 0.382 / 交差検証法: THROUGHOUT / ESU R Free: 0.478 / 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
0.28671
1210
5.1 %
RANDOM
Rwork
0.23125
-
-
-
all
0.28671
22694
-
-
obs
0.23405
22694
99.66 %
-
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: 64.587 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.02 Å2
0 Å2
0 Å2
2-
-
0.05 Å2
0 Å2
3-
-
-
-0.03 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.9→24.57 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
7215
0
0
0
7215
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.007
0.022
7335
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.03
1.973
9951
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.075
5
927
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.077
23.592
309
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.422
15
1302
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
14.763
15
63
X-RAY DIFFRACTION
r_chiral_restr
0.062
0.2
1194
X-RAY DIFFRACTION
r_gen_planes_refined
0.002
0.02
5415
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.188
0.2
3072
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
0.289
0.2
5031
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.121
0.2
234
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
0.148
0.2
32
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.09
0.2
4
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
0.261
1.5
4787
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
0.466
2
7599
X-RAY DIFFRACTION
r_scbond_it
0.508
3
2771
X-RAY DIFFRACTION
r_scangle_it
0.903
4.5
2352
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: 2.9→2.974 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.355
79
-
Rwork
0.294
1638
-
obs
-
-
99.42 %
精密化 TLS
手法: refined / Origin x: -10.5935 Å / Origin y: 0.0394 Å / Origin z: 70.4056 Å