解像度: 2.75→30.002 Å / Cor.coef. Fo:Fc: 0.938 / Cor.coef. Fo:Fc free: 0.902 / SU B: 19.86 / SU ML: 0.379 / 交差検証法: FREE R-VALUE / ESU R Free: 0.423 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2946
1540
-
Rwork
0.2385
17702
-
all
0.243
-
-
obs
-
19242
99.319 %
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: 79.473 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.112 Å2
-0 Å2
-0 Å2
2-
-
5.641 Å2
-0 Å2
3-
-
-
-4.529 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.75→30.002 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4535
0
2
0
4537
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.002
0.013
4641
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
4249
X-RAY DIFFRACTION
r_angle_refined_deg
1.203
1.65
6285
X-RAY DIFFRACTION
r_angle_other_deg
1.098
1.577
9887
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.069
5
581
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
31.701
23.233
232
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
21.198
15
813
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
21.225
15
23
X-RAY DIFFRACTION
r_chiral_restr
0.043
0.2
604
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
5174
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
935
X-RAY DIFFRACTION
r_nbd_refined
0.2
0.2
1081
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.188
0.2
3797
X-RAY DIFFRACTION
r_nbtor_refined
0.155
0.2
2197
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.081
0.2
2353
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.16
0.2
107
X-RAY DIFFRACTION
r_metal_ion_refined
0.388
0.2
3
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.434
0.2
15
X-RAY DIFFRACTION
r_nbd_other
0.169
0.2
45
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.122
0.2
1
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
0.223
0.2
3
X-RAY DIFFRACTION
r_mcbond_it
5.529
17.134
2327
X-RAY DIFFRACTION
r_mcbond_other
5.517
17.136
2325
X-RAY DIFFRACTION
r_mcangle_it
8.288
25.734
2907
X-RAY DIFFRACTION
r_mcangle_other
8.282
25.733
2907
X-RAY DIFFRACTION
r_scbond_it
5.547
17.687
2314
X-RAY DIFFRACTION
r_scbond_other
5.546
17.685
2315
X-RAY DIFFRACTION
r_scangle_it
8.537
26.201
3378
X-RAY DIFFRACTION
r_scangle_other
8.536
26.2
3379
X-RAY DIFFRACTION
r_lrange_it
13.751
161.607
18655
X-RAY DIFFRACTION
r_lrange_other
13.752
161.607
18651
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20