解像度: 1.86→42.64 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.958 / SU B: 1.963 / SU ML: 0.059 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.103 / ESU R Free: 0.094 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.17761
2147
5 %
RANDOM
Rwork
0.1631
-
-
-
all
0.16384
42618
-
-
obs
0.16384
42618
98.66 %
-
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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 19.552 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0 Å2
2-
-
0 Å2
0 Å2
3-
-
-
0 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.86→42.64 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2770
0
1
352
3123
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.005
0.021
2840
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
2419
X-RAY DIFFRACTION
r_angle_refined_deg
0.986
1.903
3875
X-RAY DIFFRACTION
r_angle_other_deg
0.761
3
5604
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.946
5
376
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
X-RAY DIFFRACTION
r_chiral_restr
0.062
0.2
426
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
3315
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
620
X-RAY DIFFRACTION
r_nbd_refined
0.191
0.2
520
X-RAY DIFFRACTION
r_nbd_other
0.236
0.2
2797
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
0.08
0.2
1562
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.09
0.2
273
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.165
0.2
21
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.257
0.2
126
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.085
0.2
31
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
0.319
1.5
1849
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
0.608
2
2932
X-RAY DIFFRACTION
r_scbond_it
0.856
3
991
X-RAY DIFFRACTION
r_scangle_it
1.437
4.5
943
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS精密化 シェル
解像度: 1.857→1.905 Å / Total num. of bins used: 20 /