ジャーナル: J.Biol.Chem. / 年: 2012 タイトル: Bivalent carbohydrate binding is required for biological activity of Clitocybe nebularis lectin (CNL), the N,N'-diacetyllactosediamine (GalNAc beta 1-4GlcNAc, LacdiNAc)-specific lectin ...タイトル: Bivalent carbohydrate binding is required for biological activity of Clitocybe nebularis lectin (CNL), the N,N'-diacetyllactosediamine (GalNAc beta 1-4GlcNAc, LacdiNAc)-specific lectin from basidiomycete C. nebularis 著者: Pohleven, J. / Renko, M. / Magister, S. / Smith, D.F. / Kunzler, M. / Strukelj, B. / Turk, D. / Kos, J. / Sabotic, J.
タイプ: MAR CCD 165 mm / 検出器: CCD / 日付: 2009年2月18日 / 詳細: Collimating and focusing, Pt-coated mirrors
放射
モノクロメーター: Double Crystal Si111 / 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: 1.033 Å / 相対比: 1
Reflection
冗長度: 8.7 % / Av σ(I) over netI: 64.64 / 数: 1549131 / Rmerge(I) obs: 0.046 / Χ2: 1.81 / D res high: 1.01 Å / D res low: 50 Å / Num. obs: 177749 / % possible obs: 98.4
構造決定の手法: 分子置換 開始モデル: The starting model was partial structure, obtained by iodine SAD phasing of unpublished data set. 解像度: 1.01→27.95 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.971 / WRfactor Rfree: 0.17 / WRfactor Rwork: 0.158 / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.933 / SU B: 0.444 / SU ML: 0.011 / SU R Cruickshank DPI: 0.023 / SU Rfree: 0.023 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.023 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES: REFINED INDIVIDUALLY. The structure was refined also with MAIN.
Rfactor
反射数
%反射
Selection details
Rfree
0.172
8906
5 %
RANDOM
Rwork
0.157
-
-
-
all
0.159
180640
-
-
obs
0.158
177623
98.31 %
-
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: MASK