- PDB-3ex9: Crystal structure of PhzA/B from Burkholderia cepacia R18194 crys... -
+
データを開く
IDまたはキーワード:
読み込み中...
-
基本情報
登録情報
データベース: PDB / ID: 3ex9
タイトル
Crystal structure of PhzA/B from Burkholderia cepacia R18194 crystallized in C2221
要素
Phenazine biosynthesis protein A/B
キーワード
BIOSYNTHETIC PROTEIN / phenazine biosynthesis / KSI
機能・相同性
Phenazine biosynthesis protein A/B / Phenazine biosynthesis protein A/B / Nuclear Transport Factor 2; Chain: A, - #50 / antibiotic biosynthetic process / NTF2-like domain superfamily / Nuclear Transport Factor 2; Chain: A, / Roll / Alpha Beta / Phenazine biosynthesis protein A/B
解像度: 2.2→20 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.916 / SU B: 16.581 / SU ML: 0.179 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R: 0.23 / ESU R Free: 0.197 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS; TLS-REFINEMENT WAS USED THROUGOUT (1 BODY)
Rfactor
反射数
%反射
Selection details
Rfree
0.23968
535
5.2 %
RANDOM
Rwork
0.19218
-
-
-
obs
0.19476
9803
97.45 %
-
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: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 54.538 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.84 Å2
0 Å2
0 Å2
2-
-
3.08 Å2
0 Å2
3-
-
-
-1.23 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.2→20 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1253
0
0
34
1287
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.022
0.021
1299
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
933
X-RAY DIFFRACTION
r_angle_refined_deg
1.831
1.905
1757
X-RAY DIFFRACTION
r_angle_other_deg
0.966
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.534
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.708
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
18.399
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
20.307
X-RAY DIFFRACTION
r_chiral_restr
0.116
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
X-RAY DIFFRACTION
r_gen_planes_other
0.001
X-RAY DIFFRACTION
r_nbd_refined
0.211
X-RAY DIFFRACTION
r_nbd_other
0.216
X-RAY DIFFRACTION
r_nbtor_refined
0.191
X-RAY DIFFRACTION
r_nbtor_other
0.095
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.193
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.193
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.314
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.182
X-RAY DIFFRACTION
r_mcbond_it
1.097
X-RAY DIFFRACTION
r_mcbond_other
0.265
X-RAY DIFFRACTION
r_mcangle_it
1.632
X-RAY DIFFRACTION
r_scbond_it
2.563
X-RAY DIFFRACTION
r_scangle_it
3.958
LS精密化 シェル
解像度: 2.2→2.257 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.448
30
-
Rwork
0.35
716
-
obs
-
-
96.88 %
精密化 TLS
手法: refined / Origin x: -11.0642 Å / Origin y: 1.1891 Å / Origin z: -14.952 Å