- PDB-2it0: Crystal structure of a two-domain IdeR-DNA complex crystal form II -
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基本情報
登録情報
データベース: PDB / ID: 2it0
タイトル
Crystal structure of a two-domain IdeR-DNA complex crystal form II
要素
(mbtA/mbtB operator strand ...) x 2
Iron-dependent repressor ideR
キーワード
TRANSCRIPTION/DNA / DNA-binding protein (DNA結合タンパク質) / TRANSCRIPTION-DNA COMPLEX
機能・相同性
機能・相同性情報
catechol-containing siderophore biosynthetic process / cobalt ion binding / cadmium ion binding / nickel cation binding / transition metal ion binding / peptidoglycan-based cell wall / ferrous iron binding / manganese ion binding / response to oxidative stress / protein dimerization activity ...catechol-containing siderophore biosynthetic process / cobalt ion binding / cadmium ion binding / nickel cation binding / transition metal ion binding / peptidoglycan-based cell wall / ferrous iron binding / manganese ion binding / response to oxidative stress / protein dimerization activity / iron ion binding / DNA-binding transcription factor activity / negative regulation of DNA-templated transcription / regulation of DNA-templated transcription / DNA binding / zinc ion binding / 細胞膜 / 細胞質 類似検索 - 分子機能
Diphteria toxin repressor, SH3 domain / Diphteria toxin repressor SH3 domain / FeoA domain / Iron dependent repressor, metal binding and dimerisation domain / Ferrous iron transporter, core domain / Ferrous iron transporter FeoA domain / FeoA / DtxR-type HTH domain profile. / DTXR-type HTH domain / Iron dependent repressor, N-terminal DNA binding domain ...Diphteria toxin repressor, SH3 domain / Diphteria toxin repressor SH3 domain / FeoA domain / Iron dependent repressor, metal binding and dimerisation domain / Ferrous iron transporter, core domain / Ferrous iron transporter FeoA domain / FeoA / DtxR-type HTH domain profile. / DTXR-type HTH domain / Iron dependent repressor, N-terminal DNA binding domain / Iron dependent repressor, metal binding and dimerisation domain / Iron dependent repressor / Iron dependent repressor, metal binding and dimerisation domain superfamily / Iron dependent repressor, metal binding and dimerisation domain / Helix-turn-helix diphteria tox regulatory element / Diphtheria Toxin Repressor; domain 2 / Transcriptional repressor, C-terminal / Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain / Arc Repressor Mutant, subunit A / Winged helix DNA-binding domain superfamily / Winged helix-like DNA-binding domain superfamily / Orthogonal Bundle / Mainly Alpha 類似検索 - ドメイン・相同性
酢酸塩 / NICKEL (II) ION / デオキシリボ核酸 / DNA (> 10) / Iron-dependent repressor IdeR / Iron-dependent repressor IdeR 類似検索 - 構成要素
温度: 298 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 8.5 詳細: 26% PEG 4000, 0.2 M sodium acetate, 0.1 M Tris HCl pH 8.5, 5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
溶液の組成
ID
名称
Crystal-ID
Sol-ID
1
PEG4000
1
1
2
Naacetate
1
1
3
TrisHCl
1
1
4
PEG4000
1
2
5
Naacetate
1
2
6
TrisHCl
1
2
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データ収集
回折
平均測定温度: 100 K
放射光源
由来: シンクロトロン / サイト: ALS / ビームライン: 8.2.2 / 波長: 1.1217 Å
検出器
タイプ: ADSC QUANTUM 315 / 検出器: CCD
放射
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 1.1217 Å / 相対比: 1
Reflection
冗長度: 1.9 % / Av σ(I) over netI: 3.8 / 数: 59087 / Rmerge(I) obs: 0.126 / Rsym value: 0.126 / D res high: 2.6 Å / D res low: 72.481 Å / Num. obs: 31514 / % possible obs: 96.3
Diffraction reflection shell
最高解像度 (Å)
最低解像度 (Å)
% possible obs (%)
ID
Rmerge(I) obs
Rsym value
Redundancy
8.22
37.91
97.2
1
0.053
0.053
1.9
5.81
8.22
98.1
1
0.055
0.055
2
4.75
5.81
96
1
0.151
0.151
1.6
4.11
4.75
96.2
1
0.082
0.082
1.8
3.68
4.11
96.1
1
0.063
0.063
1.9
3.36
3.68
96.5
1
0.087
0.087
1.9
3.11
3.36
96.5
1
0.108
0.108
1.9
2.91
3.11
96.3
1
0.207
0.207
1.9
2.74
2.91
96
1
0.263
0.263
1.9
2.6
2.74
95.9
1
0.348
0.348
1.9
反射
解像度: 2.6→72.481 Å / Num. obs: 31514 / % possible obs: 96.3 % / 冗長度: 1.9 % / Rmerge(I) obs: 0.126 / Rsym value: 0.126 / Net I/σ(I): 3.8
解像度: 2.6→50 Å / Cor.coef. Fo:Fc: 0.9 / Cor.coef. Fo:Fc free: 0.852 / SU B: 10.597 / SU ML: 0.227 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.59 / ESU R Free: 0.326 / 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
0.273
1595
5.1 %
RANDOM
Rwork
0.226
-
-
-
obs
0.229
31507
96.33 %
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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