Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with methylmalonyl-coenzyme a and methylmalonic acid bound)
解像度: 1.9→1.97 Å / 冗長度: 2.6 % / Mean I/σ(I) obs: 3.6 / Num. unique all: 24491 / Rsym value: 0.268 / % possible all: 97.4
反射
*PLUS
Rmerge(I) obs: 0.057
反射 シェル
*PLUS
最高解像度: 1.9 Å / % possible obs: 97.4 % / Rmerge(I) obs: 0.268
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解析
ソフトウェア
名称
バージョン
分類
CNS
1.1
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
SHARP
位相決定
精密化
構造決定の手法: 多重同系置換 / 解像度: 1.9→19.97 Å / Rfactor Rfree error: 0.002 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: Engh & Huber 詳細: maximum likelihood target using amplitudes. WATERS 1-6 HAVE COORDINATION SPHERES REMINISCENT OF CATIONS, BUT COULD NOT BE DEFINITIVELY IDENTIFIED AS IONS BECAUSE THEIR B-FACTORS, ALTHOUGH ...詳細: maximum likelihood target using amplitudes. WATERS 1-6 HAVE COORDINATION SPHERES REMINISCENT OF CATIONS, BUT COULD NOT BE DEFINITIVELY IDENTIFIED AS IONS BECAUSE THEIR B-FACTORS, ALTHOUGH LOWER THAN THE SURROUNDING ATOMS, ARE NOT UNREASONABLY LOW, AND THERE WERE NO CORRESPONDING PEAKS IN THE ANOMALOUS DIFFERENCE DENSITY