ジャーナル: Biochemistry / 年: 2006 タイトル: Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single ...タイトル: Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution. 著者: Yadav, M.K. / Leman, L.J. / Price, D.J. / Brooks, C.L. / Stout, C.D. / Ghadiri, M.R.
GENERALCONTROLPROTEINGCN4 / AMINO ACID BIOSYNTHESIS REGULATORY PROTEIN / PLI E20C Y17H
分子量: 3995.802 Da / 分子数: 2 / 変異: YES / 由来タイプ: 合成 / 詳細: PEPTIDE IS CAPPED WITH PARA ACETAMIDO BENZOIC ACID. / 由来: (合成) SACCHAROMYCES CEREVISIAE (パン酵母) / 参照: UniProt: P03069
構成要素の詳細
CHAIN A, B ENGINEERED MUTATION TYR 265 HIS, GLU 268 CYS THE N-TERMINUS OF THIS PEPTIDE IS CAPPED ...CHAIN A, B ENGINEERED MUTATION TYR 265 HIS, GLU 268 CYS THE N-TERMINUS OF THIS PEPTIDE IS CAPPED WITH ABA. DATA EXHIBITED SOME EPITAXIAL TWINNING, SLIGHTLY HIGH RFREE.
モノクロメーター: NI FILTER / 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: 1.5418 Å / 相対比: 1
反射
解像度: 2.2→35.41 Å / Num. obs: 3786 / % possible obs: 100 % / Observed criterion σ(I): 2 / 冗長度: 7.06 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 17.2
反射 シェル
解像度: 2.2→2.28 Å / 冗長度: 7.11 % / Rmerge(I) obs: 0.36 / Mean I/σ(I) obs: 4.7 / % possible all: 100
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.1.24
精密化
CrystalClear
(MSC/RIGAKU)
データ削減
CrystalClear
(MSC/RIGAKU)
データスケーリング
MOLREP
位相決定
精密化
構造決定の手法: 分子置換 / 解像度: 2.5→35.41 Å / Cor.coef. Fo:Fc: 0.914 / Cor.coef. Fo:Fc free: 0.873 / 交差検証法: THROUGHOUT / σ(F): 2 / ESU R: 0.563 / ESU R Free: 0.369 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. N TERMINUS IS CAPPED WITH ABA.
Rfactor
反射数
%反射
Selection details
Rfree
0.344
116
4.4 %
RANDOM
Rwork
0.28
-
-
-
obs
0.282
2517
100 %
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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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK