HIS91 IS MONOPROTONATED ON THE EPSILON NITROGEN, HIS40 AND HIS57 ARE MONOPROTONATED ON THE DELTA NITROGEN.
-
実験情報
-
実験
実験
手法: X線回折 / 使用した結晶の数: 1
-
試料調製
結晶
マシュー密度: 2.08 Å3/Da / 溶媒含有率: 18 %
結晶化
pH: 6.1 詳細: TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990) THE CRYSTAL WAS SOAKED IN A ...詳細: TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990) THE CRYSTAL WAS SOAKED IN A SOLUTION OF 1.25 M NA2PO4 . 7 H2O, 1.75 M KH2PO4, 2.0 % DMSO, SATURATED IN BABIM OVER A PERIOD OF 5 DAYS WITH SEVERAL REPLACEMENTS OF THE SOAKING SOLUTION., pH 6.1
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: 1.33→36.6 Å / Num. obs: 23706 / % possible obs: 67 % / Observed criterion σ(I): 0.9 / 冗長度: 2.4 % / Rmerge(I) obs: 0.112 / Net I/σ(I): 5.3
反射 シェル
解像度: 1.63→1.7 Å / Rmerge(I) obs: 0.282 / Mean I/σ(I) obs: 1.5 / % possible all: 41.8
反射
*PLUS
冗長度: 2.4 % / Num. measured all: 56042
-
解析
ソフトウェア
名称
バージョン
分類
bioteX
(MSC)
データ収集
bioteX
(MSC)
データ削減
X-PLOR
モデル構築
Quanta
モデル構築
Insight II
モデル構築
X-PLOR
3.1
精密化
bioteX
データスケーリング
X-PLOR
位相決定
精密化
構造決定の手法: DIFFERENCE FOURIER PLUS REFINEMENT / 解像度: 1.63→7.5 Å / 交差検証法: X-PLOR / σ(F): 2 詳細: BULK SOLVENT TERMS INCLUDED IN FOB FILE CREATED WITH STANDARD X-PLOR SCRIPT.