解像度: 2.73→53.01 Å / Cor.coef. Fo:Fc: 0.916 / Cor.coef. Fo:Fc free: 0.826 / SU B: 18.094 / SU ML: 0.357 / 交差検証法: FREE R-VALUE / ESU R Free: 0.459 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2919
826
4.907 %
Rwork
0.1953
16008
-
all
0.2
-
-
obs
-
16834
99.704 %
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: MASK BULK SOLVENT
原子変位パラメータ
Biso mean: 31.186 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.079 Å2
-0 Å2
0.029 Å2
2-
-
-0.216 Å2
-0 Å2
3-
-
-
0.263 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.73→53.01 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4770
0
45
316
5131
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.006
0.013
4965
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
4512
X-RAY DIFFRACTION
r_angle_refined_deg
1.466
1.662
6741
X-RAY DIFFRACTION
r_angle_other_deg
1.164
1.583
10480
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
8.548
5
594
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.442
21.841
277
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.401
15
825
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.77
15
38
X-RAY DIFFRACTION
r_chiral_restr
0.061
0.2
609
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
5560
X-RAY DIFFRACTION
r_gen_planes_other
0.004
0.02
1091
X-RAY DIFFRACTION
r_nbd_refined
0.203
0.2
1249
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.191
0.2
4776
X-RAY DIFFRACTION
r_nbtor_refined
0.163
0.2
2286
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.08
0.2
2205
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.196
0.2
281
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.068
0.2
5
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.154
0.2
11
X-RAY DIFFRACTION
r_nbd_other
0.205
0.2
35
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.238
0.2
6
X-RAY DIFFRACTION
r_mcbond_it
2.364
3.374
2382
X-RAY DIFFRACTION
r_mcbond_other
2.346
3.372
2381
X-RAY DIFFRACTION
r_mcangle_it
4.062
5.053
2972
X-RAY DIFFRACTION
r_mcangle_other
4.064
5.056
2973
X-RAY DIFFRACTION
r_scbond_it
1.682
3.451
2583
X-RAY DIFFRACTION
r_scbond_other
1.683
3.453
2581
X-RAY DIFFRACTION
r_scangle_it
3.006
5.145
3769
X-RAY DIFFRACTION
r_scangle_other
3.006
5.145
3769
X-RAY DIFFRACTION
r_lrange_it
7.636
38.286
5835
X-RAY DIFFRACTION
r_lrange_other
7.556
38.362
5789
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20