#1: ジャーナル: Acta Crystallogr F Struct Biol Commun / 年: 2017 タイトル: The quorum-quenching lactonase from Alicyclobacter acidoterrestris: purification, kinetic characterization, crystallization and crystallographic analysis. 著者: Bergonzi, C. / Schwab, M. / Chabriere, E. / Elias, M.
温度: 292 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8 詳細: Purified and concentrated AaL samples (10 mg ml) were subjected to crystallization trialsCrystals appeared after 1 d at 292 K in a condition consisting of 0.45M ammonium chloride, 16% ...詳細: Purified and concentrated AaL samples (10 mg ml) were subjected to crystallization trialsCrystals appeared after 1 d at 292 K in a condition consisting of 0.45M ammonium chloride, 16% polyethylene glycol 3350. Seeding was performed as described previously (PMID: 28777091)
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: 1.0332 Å / 相対比: 1
反射
解像度: 1.65→19.9 Å / Num. obs: 111796 / % possible obs: 98.2 % / 冗長度: 3.86 % / Rsym value: 0.036 / Net I/σ(I): 22.08
反射 シェル
解像度: 1.65→1.75 Å / 冗長度: 3.94 % / Mean I/σ(I) obs: 3.16 / Num. unique obs: 17858 / Rsym value: 0.591 / % possible all: 97.2
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.8.0135
精密化
XDS
データ削減
XSCALE
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: 1.65→19.9 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.962 / SU B: 1.914 / SU ML: 0.063 / 交差検証法: THROUGHOUT / ESU R: 0.089 / ESU R Free: 0.087 / 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
0.19737
5590
5 %
RANDOM
Rwork
0.17039
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-
-
obs
0.17172
106205
98.33 %
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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