分子量: 15483.189 Da / 分子数: 1 / 由来タイプ: 組換発現 詳細: The CdiA toxin was coexpressed with CdiI immunity protein with the dual pMCSG58 vector. The CdiA/CdiI complex sample was treated with subtilisin, which removed N-terminal fragment of the CdiA ...詳細: The CdiA toxin was coexpressed with CdiI immunity protein with the dual pMCSG58 vector. The CdiA/CdiI complex sample was treated with subtilisin, which removed N-terminal fragment of the CdiA protein. For Matthews coef. calculations only the visible fragments of both, CdiA and CdiI were taken into account. 由来: (組換発現) Escherichia coli (大腸菌) / 株: STEC_O31 / プラスミド: pMCSG58 / 発現宿主: Escherichia coli (大腸菌) / 株 (発現宿主): BL21(DE3) / 参照: UniProt: A0A1S4NYE3*PLUS
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: 0.97934 Å / 相対比: 1
反射
解像度: 2→30 Å / Num. obs: 23397 / % possible obs: 99.2 % / Observed criterion σ(I): -3 / 冗長度: 6.3 % / Rmerge(I) obs: 0.117 / Net I/σ(I): 17.03
反射 シェル
解像度: 2→2.03 Å / 冗長度: 5.7 % / Rmerge(I) obs: 0.839 / Mean I/σ(I) obs: 2.21 / % possible all: 99.8
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.8.0135
精密化
HKL-3000
データ削減
HKL-3000
データスケーリング
HKL-3000
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 2→30 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.937 / SU B: 6.957 / SU ML: 0.099 / 交差検証法: THROUGHOUT / ESU R: 0.145 / ESU R Free: 0.137 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.20761
1140
4.9 %
RANDOM
Rwork
0.16744
-
-
-
obs
0.16938
22180
99.32 %
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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: 1.2 Å / 溶媒モデル: MASK