解像度: 1.67→39.252 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.964 / SU B: 3.034 / SU ML: 0.091 / 交差検証法: FREE R-VALUE / ESU R: 0.106 / ESU R Free: 0.103 / 詳細: Hydrogens have not been used
Rfactor
反射数
%反射
Rfree
0.2107
2053
4.73 %
Rwork
0.1792
41355
-
all
0.181
-
-
obs
-
43408
92.132 %
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: BABINET MODEL PLUS MASK
原子変位パラメータ
Biso mean: 41.016 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.535 Å2
0 Å2
0.653 Å2
2-
-
-2.531 Å2
0 Å2
3-
-
-
-0.409 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.67→39.252 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2907
0
46
247
3200
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.012
3112
X-RAY DIFFRACTION
r_angle_refined_deg
1.612
1.665
4198
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.396
5
376
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
30.862
21.348
178
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.972
15
561
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.665
15
27
X-RAY DIFFRACTION
r_chiral_restr
0.114
0.2
397
X-RAY DIFFRACTION
r_gen_planes_refined
0.01
0.02
2359
X-RAY DIFFRACTION
r_nbd_refined
0.208
0.2
1398
X-RAY DIFFRACTION
r_nbtor_refined
0.318
0.2
2098
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.153
0.2
237
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.194
0.2
45
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.158
0.2
9
X-RAY DIFFRACTION
r_mcbond_it
3.34
3.721
1438
X-RAY DIFFRACTION
r_mcangle_it
4.241
5.546
1800
X-RAY DIFFRACTION
r_scbond_it
4.8
4.212
1674
X-RAY DIFFRACTION
r_scangle_it
6.553
6.082
2386
X-RAY DIFFRACTION
r_lrange_it
8.334
71.769
13108
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.071
0.05
5925
Refine LS restraints NCS
Ens-ID
Dom-ID
Auth asym-ID
Refine-ID
タイプ
Rms dev position (Å)
Weight position
1
1
AAA
X-RAY DIFFRACTION
Localncs
0.07052
0.0501
1
2
BBB
X-RAY DIFFRACTION
Localncs
0.07052
0.0501
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20