解像度: 2.79→80.105 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.9 / SU B: 17.004 / SU ML: 0.3 / 交差検証法: THROUGHOUT / ESU R: 0.643 / ESU R Free: 0.345 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Selection details
Rfree
0.2676
4926
4.967 %
Random
Rwork
0.2089
-
-
-
all
0.212
-
-
-
obs
-
99184
99.25 %
-
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: 61.264 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.225 Å2
0.612 Å2
0 Å2
2-
-
1.225 Å2
0 Å2
3-
-
-
-3.974 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.79→80.105 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
19393
0
0
19
19412
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
19777
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
18291
X-RAY DIFFRACTION
r_angle_refined_deg
1.381
1.639
26823
X-RAY DIFFRACTION
r_angle_other_deg
1.171
1.571
42501
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.963
5
2443
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.841
23.224
1070
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.609
15
3390
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.515
15
120
X-RAY DIFFRACTION
r_chiral_restr
0.057
0.2
2549
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
22150
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
3970
X-RAY DIFFRACTION
r_nbd_refined
0.207
0.2
4148
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.181
0.2
17507
X-RAY DIFFRACTION
r_nbtor_refined
0.158
0.2
9410
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.077
0.2
9058
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.151
0.2
371
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.153
0.2
1
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.134
0.2
21
X-RAY DIFFRACTION
r_nbd_other
0.174
0.2
83
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.186
0.2
7
X-RAY DIFFRACTION
r_mcbond_it
3.819
6.482
9832
X-RAY DIFFRACTION
r_mcbond_other
3.819
6.481
9831
X-RAY DIFFRACTION
r_mcangle_it
6.02
9.712
12255
X-RAY DIFFRACTION
r_mcangle_other
6.02
9.713
12256
X-RAY DIFFRACTION
r_scbond_it
3.585
6.757
9945
X-RAY DIFFRACTION
r_scbond_other
3.584
6.757
9946
X-RAY DIFFRACTION
r_scangle_it
5.778
10.018
14568
X-RAY DIFFRACTION
r_scangle_other
5.777
10.018
14569
X-RAY DIFFRACTION
r_lrange_it
8.812
75.136
21507
X-RAY DIFFRACTION
r_lrange_other
8.812
75.14
21508
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20