解像度: 1.957→142.548 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.95 / SU B: 9.229 / SU ML: 0.224 / 交差検証法: FREE R-VALUE / ESU R: 0.19 / ESU R Free: 0.175 / 詳細: Hydrogens have not been used
Rfactor
反射数
%反射
Rfree
0.2587
4502
4.849 %
Rwork
0.2055
88351
-
all
0.208
-
-
obs
-
92853
99.681 %
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: 54.15 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-3.405 Å2
-0 Å2
-0.919 Å2
2-
-
5.268 Å2
-0 Å2
3-
-
-
-1.805 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.957→142.548 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
9543
0
135
272
9950
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
10258
X-RAY DIFFRACTION
r_angle_refined_deg
1.64
1.64
13933
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.608
5
1245
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
33.967
22.156
538
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.455
15
1850
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
21.336
15
60
X-RAY DIFFRACTION
r_chiral_restr
0.104
0.2
1292
X-RAY DIFFRACTION
r_gen_planes_refined
0.009
0.02
7652
X-RAY DIFFRACTION
r_nbd_refined
0.214
0.2
4627
X-RAY DIFFRACTION
r_nbtor_refined
0.304
0.2
6785
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.139
0.2
399
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.222
0.2
58
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.106
0.2
16
X-RAY DIFFRACTION
r_mcbond_it
8.851
13.63
4723
X-RAY DIFFRACTION
r_mcangle_it
10.434
22.891
5921
X-RAY DIFFRACTION
r_scbond_it
10.857
14.897
5535
X-RAY DIFFRACTION
r_scangle_it
12.855
24.216
7943
X-RAY DIFFRACTION
r_lrange_it
13.402
98.705
42648
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.082
0.05
9828
X-RAY DIFFRACTION
r_ncsr_local_group_2
0.08
0.05
9886
X-RAY DIFFRACTION
r_ncsr_local_group_3
0.081
0.05
9879
X-RAY DIFFRACTION
r_ncsr_local_group_4
0.076
0.05
9950
X-RAY DIFFRACTION
r_ncsr_local_group_5
0.078
0.05
9953
X-RAY DIFFRACTION
r_ncsr_local_group_6
0.071
0.05
10050
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
0.08244
0.05009
1
2
BBB
X-RAY DIFFRACTION
Localncs
0.08244
0.05009
2
3
AAA
X-RAY DIFFRACTION
Localncs
0.08009
0.05009
2
4
CCC
X-RAY DIFFRACTION
Localncs
0.08009
0.05009
3
5
AAA
X-RAY DIFFRACTION
Localncs
0.08081
0.05009
3
6
DDD
X-RAY DIFFRACTION
Localncs
0.08081
0.05009
4
7
BBB
X-RAY DIFFRACTION
Localncs
0.07566
0.05009
4
8
CCC
X-RAY DIFFRACTION
Localncs
0.07566
0.05009
5
9
BBB
X-RAY DIFFRACTION
Localncs
0.07788
0.05009
5
10
DDD
X-RAY DIFFRACTION
Localncs
0.07788
0.05009
6
11
CCC
X-RAY DIFFRACTION
Localncs
0.07088
0.05009
6
12
DDD
X-RAY DIFFRACTION
Localncs
0.07088
0.05009
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20