マシュー密度: 2.1 Å3/Da / 溶媒含有率: 42.5 % 解説: THE STARTING MODEL WAS PREVIOUS LITOPENAEUS VANNAMEI NDK STRUCTURE COMPLEXED WITH DADP WHICH WILL BE DEPOSITED IN PDB
結晶化
pH: 8.5 詳細: 0.2 M MAGNESIUM CHLORIDE HEXAHYDRATE, 0.1 M TRIS-HCL PH 8.5 AND 30% (W/V) PEG 4,000
モノクロメーター: SI(111) CHANNEL CUT / 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: 0.979 Å / 相対比: 1
反射
解像度: 2→34.8 Å / Num. obs: 29462 / % possible obs: 99.6 % / Observed criterion σ(I): 3 / 冗長度: 8.2 % / Rmerge(I) obs: 0.14 / Net I/σ(I): 16.7
反射 シェル
解像度: 2→2.1 Å / 冗長度: 8.1 % / Rmerge(I) obs: 0.74 / Mean I/σ(I) obs: 3.4 / % possible all: 96.4
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解析
ソフトウェア
名称
バージョン
分類
PHENIX
(PHENIX.REFINE: 1.8.2_1309)
精密化
HKL-2000
データ削減
SCALEPACK
データスケーリング
PHASER
位相決定
精密化
構造決定の手法: 分子置換 開始モデル: SHRIMP NDK STRUCTURE TO BE DEPOSITED 解像度: 2.007→34.887 Å / SU ML: 0.18 / σ(F): 1.34 / 位相誤差: 24.19 / 立体化学のターゲット値: ML 詳細: NO ELECTRON DENSITY WAS FOUND FOR ADP IN THE CHAIN A ACTIVE SITE. ALSO NUCLEOTIDE BINDING LOOP IN CHAIN A THAT COMPRISE RESIDUES 44-66 WERE DISORDERED. THEREFORE, BOTH LIGAND AND DISORDERED ...詳細: NO ELECTRON DENSITY WAS FOUND FOR ADP IN THE CHAIN A ACTIVE SITE. ALSO NUCLEOTIDE BINDING LOOP IN CHAIN A THAT COMPRISE RESIDUES 44-66 WERE DISORDERED. THEREFORE, BOTH LIGAND AND DISORDERED LOOP WERE NOT INCLUDED IN IN FINAL THE MODEL.
Rfactor
反射数
%反射
Rfree
0.217
1497
5.1 %
Rwork
0.178
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obs
0.18
29447
99.58 %
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL