解像度: 3→31.33 Å / Cor.coef. Fo:Fc: 0.918 / Cor.coef. Fo:Fc free: 0.87 / SU B: 50.493 / SU ML: 0.429 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R Free: 0.529 / 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
0.27816
464
4.8 %
RANDOM
Rwork
0.20536
-
-
-
obs
0.20905
9184
99.71 %
-
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
原子変位パラメータ
Biso mean: 8.356 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.81 Å2
0 Å2
0 Å2
2-
-
0.19 Å2
0 Å2
3-
-
-
0.62 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.48 Å
0.35 Å
Luzzati d res low
-
5 Å
Luzzati sigma a
0.46 Å
0.42 Å
精密化ステップ
サイクル: LAST / 解像度: 3→31.33 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3506
0
23
23
3552
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.022
3626
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.241
1.967
4922
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.853
5
450
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
39.537
25.671
164
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
20.088
15
593
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.701
15
8
X-RAY DIFFRACTION
r_chiral_restr
0.083
0.2
522
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
2785
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.213
0.2
1806
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
0.31
0.2
2501
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.145
0.2
102
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
0.292
0.2
26
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.036
0.2
2
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
0.342
1.5
2282
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
0.623
2
3595
X-RAY DIFFRACTION
r_scbond_it
0.773
3
1524
X-RAY DIFFRACTION
r_scangle_it
1.338
4.5
1327
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: 3.004→3.081 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.463
31
-
Rwork
0.324
654
-
obs
-
-
98.56 %
精密化 TLS
手法: refined / Origin x: -18.188 Å / Origin y: -2.061 Å / Origin z: -19.094 Å