- PDB-4axh: Structure and mechanism of the first inverting alkylsulfatase spe... -
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基本情報
登録情報
データベース: PDB / ID: 4axh
タイトル
Structure and mechanism of the first inverting alkylsulfatase specific for secondary alkylsulfatases
要素
SEC-ALKYLSULFATASE
キーワード
HYDROLASE / REACTION MECHANISM / ZINC-DEPENDENT
機能・相同性
機能・相同性情報
(R)-specific secondary-alkylsulfatase (type III) / linear primary-alkylsulfatase activity / dodecyl sulfate metabolic process / outer membrane-bounded periplasmic space / protein dimerization activity / metal ion binding 類似検索 - 分子機能
解像度: 2.7→19.93 Å / Num. obs: 36072 / % possible obs: 93.3 % / Observed criterion σ(I): 2 / 冗長度: 7.4 % / Biso Wilson estimate: 65.35 Å2 / Rmerge(I) obs: 0.08 / Net I/σ(I): 18.8
反射 シェル
解像度: 2.7→8.54 Å / 冗長度: 7.5 % / Rmerge(I) obs: 0.66 / Mean I/σ(I) obs: 3.1 / % possible all: 100
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解析
ソフトウェア
名称
バージョン
分類
BUSTER
2.10.0
精密化
XDS
データ削減
SCALA
データスケーリング
SOLVE
位相決定
精密化
構造決定の手法: 多波長異常分散 開始モデル: NONE 解像度: 2.7→19.59 Å / Cor.coef. Fo:Fc: 0.9211 / Cor.coef. Fo:Fc free: 0.8849 / 交差検証法: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.377 詳細: B32-B193, B261-B308, B336-B37 DEFINED AND WERE MODELLED AS NCS-MATES FROM MOLECULE A. IDEAL-DIST CONTACT TERM CONTACT SETUP. RESIDUE TYPES WITHOUT CCP4 ATOM TYPE IN LIBRARY=ZN. NUMBER OF ...詳細: B32-B193, B261-B308, B336-B37 DEFINED AND WERE MODELLED AS NCS-MATES FROM MOLECULE A. IDEAL-DIST CONTACT TERM CONTACT SETUP. RESIDUE TYPES WITHOUT CCP4 ATOM TYPE IN LIBRARY=ZN. NUMBER OF ATOMS WITH PROPER CCP4 ATOM TYPE=10041. NUMBER WITH APPROX DEFAULT CCP4 ATOM TYPE=0. NUMBER TREATED BY BAD NON-BONDED CONTACTS=4. FOR ATOMS IN HIGHLY DISORDERED REGIONS AN OCCUPANCY OF 0.5 WAS CHOOSEN.