分子量: 15750.434 Da / 分子数: 1 / 由来タイプ: 組換発現 詳細: Protein was selected by phage display from a fully synthetic library that was partly based on naturally occurring sequences from Camelidae 由来: (組換発現) Camelidae (哺乳類) / プラスミド: p416His / 発現宿主: Escherichia coli (大腸菌) / 株 (発現宿主): TG-1
解像度: 1.8→18.8 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.939 / SU B: 5.935 / SU ML: 0.093 / 交差検証法: THROUGHOUT / σ(F): 3 / ESU R: 0.106 / ESU R Free: 0.108 / 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
0.23295
932
5 %
RANDOM
Rwork
0.19696
-
-
-
all
0.19876
17722
-
-
obs
0.19876
17722
100 %
-
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: 35.991 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.8→18.8 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
984
0
36
116
1136
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.02
0.021
1047
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.918
1.948
1414
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.213
5
125
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.691
22.245
49
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.221
15
164
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.289
15
10
X-RAY DIFFRACTION
r_chiral_restr
0.105
0.2
143
X-RAY DIFFRACTION
r_gen_planes_refined
0.009
0.021
802
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
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
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
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
0.981
1.5
619
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.616
2
996
X-RAY DIFFRACTION
r_scbond_it
2.669
3
428
X-RAY DIFFRACTION
r_scangle_it
3.915
4.5
418
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: 1.8→1.846 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.384
66
-
Rwork
0.29
1260
-
obs
-
1260
100 %
精密化 TLS
手法: refined / Origin x: 11.287 Å / Origin y: -27.963 Å / Origin z: 3.668 Å