- PDB-6xi1: Crystal structure of tetra-tandem repeat in extending RTX adhesin... -
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基本情報
登録情報
データベース: PDB / ID: 6xi1
タイトル
Crystal structure of tetra-tandem repeat in extending RTX adhesin from Aeromonas hydrophila
要素
Flagellin hook IN motif family
キーワード
METAL BINDING PROTEIN / Beta-sandwich domains / Bacterial adhesin (アドヘシン) / RTX protein / Adhesion protein (接着) / calcium binding protein (カルシウム結合タンパク質) / VCBS-repeat
構造決定の手法: 単波長異常分散 / 解像度: 1.75→48.638 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.954 / SU B: 2.802 / SU ML: 0.084 / 交差検証法: THROUGHOUT / ESU R: 0.1 / ESU R Free: 0.099 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2098
5436
5.001 %
Rwork
0.1812
103270
-
all
0.183
-
-
obs
-
108706
97.26 %
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: 25.274 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.474 Å2
-1.677 Å2
-1.366 Å2
2-
-
-1.162 Å2
-2.253 Å2
3-
-
-
2.643 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.75→48.638 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
6012
0
114
974
7100
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.011
0.013
6151
X-RAY DIFFRACTION
r_bond_other_d
0.003
0.017
5439
X-RAY DIFFRACTION
r_angle_refined_deg
1.574
1.646
8415
X-RAY DIFFRACTION
r_angle_other_deg
1.539
1.571
12675
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.402
5
849
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
37.508
27.885
227
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
10.45
15
875
X-RAY DIFFRACTION
r_chiral_restr
0.068
0.2
933
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.02
7041
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
1043
X-RAY DIFFRACTION
r_nbd_refined
0.248
0.2
1125
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.195
0.2
4984
X-RAY DIFFRACTION
r_nbtor_refined
0.152
0.2
3091
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.089
0.2
2667
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.177
0.2
772
X-RAY DIFFRACTION
r_metal_ion_refined
0.126
0.2
117
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.216
0.2
8
X-RAY DIFFRACTION
r_nbd_other
0.182
0.2
42
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.15
0.2
36
X-RAY DIFFRACTION
r_mcbond_it
2.147
2.549
3402
X-RAY DIFFRACTION
r_mcbond_other
2.145
2.548
3401
X-RAY DIFFRACTION
r_mcangle_it
2.876
3.813
4249
X-RAY DIFFRACTION
r_mcangle_other
2.876
3.814
4250
X-RAY DIFFRACTION
r_scbond_it
2.991
2.82
2749
X-RAY DIFFRACTION
r_scbond_other
2.991
2.821
2750
X-RAY DIFFRACTION
r_scangle_it
4.383
4.12
4166
X-RAY DIFFRACTION
r_scangle_other
4.382
4.12
4167
X-RAY DIFFRACTION
r_lrange_it
6.058
32.74
7026
X-RAY DIFFRACTION
r_lrange_other
5.594
31.919
6697
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.078
0.05
12403
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20