Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: HIS / Beg label comp-ID: HIS / End auth comp-ID: ILE / End label comp-ID: ILE / Auth seq-ID: -1 - 179 / Label seq-ID: 23 - 203
Dom-ID
Auth asym-ID
Label asym-ID
1
AAA
A
2
BBB
B
NCSアンサンブル: (詳細: Local NCS retraints between domains: 1 2)
解像度: 1.345→49.819 Å / Cor.coef. Fo:Fc: 0.978 / Cor.coef. Fo:Fc free: 0.971 / SU B: 1.842 / SU ML: 0.067 / 交差検証法: FREE R-VALUE / ESU R: 0.056 / ESU R Free: 0.06 / 詳細: Hydrogens have not been used
Rfactor
反射数
%反射
Rfree
0.2126
4293
4.871 %
Rwork
0.1837
83837
-
all
0.185
-
-
obs
-
88130
99.906 %
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: 34.936 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.019 Å2
-0 Å2
0.367 Å2
2-
-
-1.609 Å2
-0 Å2
3-
-
-
-0.532 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.345→49.819 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3001
0
38
340
3379
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.01
0.012
3293
X-RAY DIFFRACTION
r_angle_refined_deg
1.838
1.671
4485
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.583
5
410
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
32.964
21.309
191
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.443
15
599
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.687
15
29
X-RAY DIFFRACTION
r_chiral_restr
0.107
0.2
435
X-RAY DIFFRACTION
r_gen_planes_refined
0.011
0.02
2527
X-RAY DIFFRACTION
r_nbd_refined
0.215
0.2
1479
X-RAY DIFFRACTION
r_nbtor_refined
0.319
0.2
2216
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.149
0.2
296
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.211
0.2
52
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.229
0.2
18
X-RAY DIFFRACTION
r_mcbond_it
2.912
3.138
1506
X-RAY DIFFRACTION
r_mcangle_it
4.235
4.681
1891
X-RAY DIFFRACTION
r_scbond_it
3.906
3.521
1787
X-RAY DIFFRACTION
r_scangle_it
5.666
5.133
2568
X-RAY DIFFRACTION
r_lrange_it
8.368
59.314
14109
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.096
0.05
6239
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
0.09577
0.0501
1
2
BBB
X-RAY DIFFRACTION
Localncs
0.09577
0.0501
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20