- PDB-1cyy: CRYSTAL STRUCTURE OF THE 30 KDA FRAGMENT OF E. COLI DNA TOPOISOME... -
+
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: 1cyy
タイトル
CRYSTAL STRUCTURE OF THE 30 KDA FRAGMENT OF E. COLI DNA TOPOISOMERASE I. HEXAGONAL FORM
要素
DNA TOPOISOMERASE I
キーワード
ISOMERASE / DNA TOPOISOMERASE / DECATENATING ENZYME
機能・相同性
機能・相同性情報
DNA topoisomerase activity / DNA topoisomerase / DNA topoisomerase type I (single strand cut, ATP-independent) activity / DNA topological change / chromosome / DNA binding / metal ion binding / cytosol 類似検索 - 分子機能
DNA topoisomerase I, zinc ribbon-like, bacterial-type / : / Topoisomerase I zinc-ribbon-like / Topoisomerase I, zinc finger / DNA topoisomerase, type IA, zn finger / Topoisomerase DNA binding C4 zinc finger / DNA topoisomerase I, bacterial-type / DNA topoisomerase I, type IA / DNA topoisomerase 1, TOPRIM domain / Topoisomerase I, domain 3 ...DNA topoisomerase I, zinc ribbon-like, bacterial-type / : / Topoisomerase I zinc-ribbon-like / Topoisomerase I, zinc finger / DNA topoisomerase, type IA, zn finger / Topoisomerase DNA binding C4 zinc finger / DNA topoisomerase I, bacterial-type / DNA topoisomerase I, type IA / DNA topoisomerase 1, TOPRIM domain / Topoisomerase I, domain 3 / Topoisomerase I; domain 4 / Topoisomerase I, domain 4 / DNA topoisomerase, type IA / DNA topoisomerase, type IA, central region, subdomain 2 / DNA topoisomerase, type IA, active site / Topoisomerase (Topo) IA-type active site signature. / Topoisomerase (Topo) IA-type catalytic domain profile. / Topoisomerase I; domain 3 / DNA topoisomerase, type IA, domain 2 / DNA topoisomerase, type IA, DNA-binding domain / DNA topoisomerase, type IA, central / DNA topoisomerase, type IA, central region, subdomain 1 / DNA topoisomerase, type IA, central region, subdomain 3 / DNA topoisomerase, type IA, core domain / DNA topoisomerase / Bacterial DNA topoisomeraes I ATP-binding domain / Bacterial DNA topoisomerase I DNA-binding domain / TOPRIM / Toprim domain / Toprim domain profile. / TOPRIM domain / Distorted Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha 類似検索 - ドメイン・相同性
解像度: 2.15→2.21 Å / 冗長度: 3.8 % / Rmerge(I) obs: 0.261 / % possible all: 85.8
反射
*PLUS
Num. measured all: 259275
反射 シェル
*PLUS
% possible obs: 85.8 %
-
解析
ソフトウェア
名称
バージョン
分類
CNS
0.9
精密化
REFMAC
精密化
X-PLOR
精密化
AMoRE
位相決定
DENZO
データ削減
CCP4
(SCALA)
データスケーリング
精密化
解像度: 2.15→14.97 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 330269769.3 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 2 立体化学のターゲット値: R. A. ENGH AND R. HUBER, ACTA CRYST. SECT. A., 1991 詳細: MOST OF THE REFINEMENT DONE WITH REFMAC. SOLVENT CORRECTION WITH XPLOR. FINAL REFINEMENT WITH CNS 0.9
Rfactor
反射数
%反射
Selection details
Rfree
0.282
2166
5 %
RANDOM
Rwork
0.229
-
-
-
all
0.234
44947
-
-
obs
0.234
43571
88.3 %
-
原子変位パラメータ
Biso mean: 41.6 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.93 Å2
4.37 Å2
0 Å2
2-
-
0.93 Å2
0 Å2
3-
-
-
-1.86 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.38 Å
0.29 Å
Luzzati d res low
-
5 Å
Luzzati sigma a
0.33 Å
0.24 Å
精密化ステップ
サイクル: LAST / 解像度: 2.15→14.97 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3939
0
1
380
4320
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
c_bond_d
0.008
X-RAY DIFFRACTION
c_bond_d_na
X-RAY DIFFRACTION
c_bond_d_prot
X-RAY DIFFRACTION
c_angle_d
X-RAY DIFFRACTION
c_angle_d_na
X-RAY DIFFRACTION
c_angle_d_prot
X-RAY DIFFRACTION
c_angle_deg
1.4
X-RAY DIFFRACTION
c_angle_deg_na
X-RAY DIFFRACTION
c_angle_deg_prot
X-RAY DIFFRACTION
c_dihedral_angle_d
23.7
X-RAY DIFFRACTION
c_dihedral_angle_d_na
X-RAY DIFFRACTION
c_dihedral_angle_d_prot
X-RAY DIFFRACTION
c_improper_angle_d
0.88
X-RAY DIFFRACTION
c_improper_angle_d_na
X-RAY DIFFRACTION
c_improper_angle_d_prot
X-RAY DIFFRACTION
c_mcbond_it
1.09
2
X-RAY DIFFRACTION
c_mcangle_it
1.89
3
X-RAY DIFFRACTION
c_scbond_it
1.16
2
X-RAY DIFFRACTION
c_scangle_it
2
3
LS精密化 シェル
解像度: 2.15→2.23 Å / Rfactor Rfree error: 0.029 / Total num. of bins used: 10