解像度: 1.763→53.513 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.941 / SU B: 2.181 / SU ML: 0.07 / 交差検証法: THROUGHOUT / ESU R: 0.114 / ESU R Free: 0.112 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.1916
2034
4.99 %
Rwork
0.148
-
-
all
0.15
-
-
obs
-
40758
99.971 %
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
原子変位パラメータ
Biso mean: 20.359 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.145 Å2
0 Å2
0 Å2
2-
-
-0.392 Å2
0 Å2
3-
-
-
0.247 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.763→53.513 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3537
0
65
478
4080
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.005
0.013
3719
X-RAY DIFFRACTION
r_bond_other_d
0
0.017
3345
X-RAY DIFFRACTION
r_angle_refined_deg
1.365
1.643
5081
X-RAY DIFFRACTION
r_angle_other_deg
1.334
1.586
7753
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
8.088
5
489
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
31.304
23.125
176
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.762
15
551
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.688
15
17
X-RAY DIFFRACTION
r_chiral_restr
0.063
0.2
493
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
4267
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
752
X-RAY DIFFRACTION
r_nbd_refined
0.207
0.2
785
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.201
0.2
3227
X-RAY DIFFRACTION
r_nbtor_refined
0.158
0.2
1792
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.081
0.2
1483
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.164
0.2
349
X-RAY DIFFRACTION
r_metal_ion_refined
0.081
0.2
6
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.235
0.2
15
X-RAY DIFFRACTION
r_nbd_other
0.237
0.2
75
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.197
0.2
24
X-RAY DIFFRACTION
r_mcbond_it
1.896
1.97
1920
X-RAY DIFFRACTION
r_mcbond_other
1.89
1.967
1919
X-RAY DIFFRACTION
r_mcangle_it
2.692
2.942
2400
X-RAY DIFFRACTION
r_mcangle_other
2.696
2.944
2401
X-RAY DIFFRACTION
r_scbond_it
2.732
2.241
1799
X-RAY DIFFRACTION
r_scbond_other
2.732
2.241
1800
X-RAY DIFFRACTION
r_scangle_it
3.991
3.24
2674
X-RAY DIFFRACTION
r_scangle_other
3.991
3.24
2675
X-RAY DIFFRACTION
r_lrange_it
5.691
24.8
4284
X-RAY DIFFRACTION
r_lrange_other
5.638
24.542
4230
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20