解像度: 4→20 Å / Cor.coef. Fo:Fc: 0.842 / Cor.coef. Fo:Fc free: 0.708 / SU B: 71.759 / SU ML: 0.98 / 交差検証法: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R Free: 1.132 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS TLS parameter was refined for tRNA (treated as a single TLS group)
Rfactor
反射数
%反射
Selection details
Rfree
0.35735
328
5.3 %
RANDOM
Rwork
0.25946
-
-
-
all
0.26462
5809
-
-
obs
0.26462
5809
89.24 %
-
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: 63.983 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.71 Å2
0.36 Å2
0 Å2
2-
-
0.71 Å2
0 Å2
3-
-
-
-1.07 Å2
精密化ステップ
サイクル: LAST / 解像度: 4→20 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1961
1196
2
0
3159
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.012
0.021
3444
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.327
2.381
4945
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.097
5
257
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
37.65
22.574
101
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
21.798
15
328
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
20.92
15
19
X-RAY DIFFRACTION
r_chiral_restr
0.078
0.2
593
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
2214
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.308
0.3
1899
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
0.337
0.5
2221
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.34
0.5
162
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
0.206
0.5
1
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.262
0.3
32
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.325
0.5
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
0.762
2
1292
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.378
3
2081
X-RAY DIFFRACTION
r_scbond_it
0.374
2
2152
X-RAY DIFFRACTION
r_scangle_it
0.632
3
2864
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: 4→4.1 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.263
23
-
Rwork
0.24
343
-
obs
-
-
75.15 %
精密化 TLS
手法: refined / Origin x: -13.558 Å / Origin y: -28.623 Å / Origin z: 25.55 Å