手法: 蒸気拡散法 / pH: 8.2 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 85 % saturated MgSO4 . 7 H2O, 100 mM Tris, 1 mM CaCl2, 2.0 % DMSO,saturated with inhibitor, pH 8.20 over a period of several days with several replacements of the soaking solution., VAPOR DIFFUSION
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→35.91 Å / Num. all: 37545 / % possible obs: 88 % / Observed criterion σ(I): 1 / 冗長度: 3.2 % / Rmerge(I) obs: 0.0502 / Net I/σ(I): 13.6
反射 シェル
解像度: 1.36→1.42 Å / Rmerge(I) obs: 0.224 / Mean I/σ(I) obs: 2.5 / % possible all: 50.4
反射
*PLUS
最高解像度: 1.36 Å
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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
3.1
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
3.1
位相決定
精密化
構造決定の手法: DIFFERENCE FOURIER PLUS REFINEMENT / 解像度: 1.36→7.5 Å / 交差検証法: X-PLOR / σ(F): 1.8 詳細: Bulk solvent terms included in Fob file created with standard X-PLOR script. Residues simultaneously refined in two or more conformations are: Gln50, Met104, Ser110, Ser170, Ser236, Ile242 ...詳細: Bulk solvent terms included in Fob file created with standard X-PLOR script. Residues simultaneously refined in two or more conformations are: Gln50, Met104, Ser110, Ser170, Ser236, Ile242 Disordered waters are: HOH285 which is close to HOH306; HOH292 which is close to HOH331; HOH318 which is close to HOH327; HOH329 which is close to HOH360; HOH338 which is close to a symmetry_related equivalent of itself; HOH377 which is close to a symmetry-related equivalent of itself; HOH482 which is close to a symmetry-related equivalent of itself. His40 and HIS91 are MONOPROTONATED ON THE EPSILON NITROGEN HIS57 is monoprotonated on delta nitrogen.