解像度: 1.6→35 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.951 / SU B: 1.33 / SU ML: 0.048 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.084 / ESU R Free: 0.082 / 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
0.18852
2475
5.1 %
RANDOM
Rwork
0.16354
-
-
-
all
0.185
48540
-
-
obs
0.16484
46318
97.85 %
-
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: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 14.624 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.11 Å2
0 Å2
-0.54 Å2
2-
-
-0.61 Å2
0 Å2
3-
-
-
0.61 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.6→35 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2801
0
121
374
3296
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.011
0.021
2978
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
2723
X-RAY DIFFRACTION
r_angle_refined_deg
1.349
1.995
4034
X-RAY DIFFRACTION
r_angle_other_deg
1.393
3
6327
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.286
5
361
X-RAY DIFFRACTION
r_chiral_restr
0.085
0.2
458
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
3223
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
579
X-RAY DIFFRACTION
r_nbd_refined
0.203
0.2
578
X-RAY DIFFRACTION
r_nbd_other
0.236
0.2
3191
X-RAY DIFFRACTION
r_nbtor_other
0.083
0.2
1588
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.123
0.2
211
X-RAY DIFFRACTION
r_metal_ion_refined
0.064
0.2
6
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.202
0.2
15
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.21
0.2
47
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.142
0.2
25
X-RAY DIFFRACTION
r_mcbond_it
0.596
1.5
1807
X-RAY DIFFRACTION
r_mcangle_it
1.135
2
2925
X-RAY DIFFRACTION
r_scbond_it
1.836
3
1171
X-RAY DIFFRACTION
r_scangle_it
2.979
4.5
1108
LS精密化 シェル
解像度: 1.596→1.637 Å / Total num. of bins used: 20 /