ALTHOUGH SDAI IS A DIMER, NO BIOLOGICALLY RELEVANT DIMERCAN BE CONSTRUCTED IN THE PRESENT STRUCTURE, WHICH ISTHE REASON THIS ENTRY IS MARKED AS MONOMERIC.
モノクロメーター: SI(111) / 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: 0.9755 Å / 相対比: 1
反射
解像度: 2→51.2 Å / Num. obs: 60505 / % possible obs: 100 % / Observed criterion σ(I): 1.4 / 冗長度: 7.4 % / Biso Wilson estimate: 19.03 Å2 / Rmerge(I) obs: 0.1 / Net I/σ(I): 5.6
反射 シェル
解像度: 2→2.11 Å / 冗長度: 7.5 % / Rmerge(I) obs: 0.39 / Mean I/σ(I) obs: 1.4 / % possible all: 100
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.1.24
精密化
MOSFLM
データ削減
SCALA
データスケーリング
MLPHARE
位相決定
精密化
構造決定の手法: 単一同系置換・異常分散 / 解像度: 2→30 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.925 / SU B: 3.229 / SU ML: 0.09 / 交差検証法: THROUGHOUT / ESU R: 0.157 / ESU R Free: 0.142 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.REFINEMENT WAS CONDUCTED WITH CNS, FINAL STEPS OF REFINEMENT WERE MADE WITH REFMAC. RESIDUES 1-4 ARE DISORDERED. SDAI IS A DIMER IN SOLUTION ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.REFINEMENT WAS CONDUCTED WITH CNS, FINAL STEPS OF REFINEMENT WERE MADE WITH REFMAC. RESIDUES 1-4 ARE DISORDERED. SDAI IS A DIMER IN SOLUTION HOWEVER WE COULD NOT IDENTIFY BIOLOGICALLY RELEVANT DIMER IN THE CRYSTAL.
Rfactor
反射数
%反射
Selection details
Rfree
0.212
6068
10 %
RANDOM
Rwork
0.178
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obs
0.182
54406
100 %
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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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK