Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from Mannheimia haemolytica PHL213, Target EFI-511105, in complex with Myo-inositol
要素
Possible sugar ABC superfamily ATP binding cassette transporter, binding protein
キーワード
TRANSPORT PROTEIN / TRANSPORTER / ABC-TYPE / ENZYME FUNCTION INITIATIVE / EFI / STRUCTURAL GENOMICS
機能・相同性
Response regulator / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / ASPARTIC ACID / beta-D-glucopyranose / 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE / Possible sugar ABC superfamily ATP binding cassette transporter, binding protein
A: Possible sugar ABC superfamily ATP binding cassette transporter, binding protein B: Possible sugar ABC superfamily ATP binding cassette transporter, binding protein ヘテロ分子
温度: 294 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 4.2 詳細: PROTEIN (10 MM HEPES PH 7.5, 5 MM DTT, 10 MM MYOINOSITOL); RESERVOIR: 0.1 M Na2HPO4:Citric Acid, PH 4.2, 0.2 M SODIUM CHLORIDE, 20% PEG8000; CRYOPROTECTION: RESERVOIR SOLUTION PLUS 20% ...詳細: PROTEIN (10 MM HEPES PH 7.5, 5 MM DTT, 10 MM MYOINOSITOL); RESERVOIR: 0.1 M Na2HPO4:Citric Acid, PH 4.2, 0.2 M SODIUM CHLORIDE, 20% PEG8000; CRYOPROTECTION: RESERVOIR SOLUTION PLUS 20% GLUCOSE (VOL/VOL); VAPOR DIFFUSION, SITTING DROP, temperature 294K
解像度: 1.75→1.78 Å / 冗長度: 14.5 % / Rmerge(I) obs: 0.97 / Mean I/σ(I) obs: 3.5 / Rsym value: 0.97 / % possible all: 100
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解析
ソフトウェア
名称
バージョン
分類
SHELX
モデル構築
ARP/wARP
モデル構築
REFMAC
5.8.0073
精密化
HKL-3000
データ削減
HKL-3000
データスケーリング
SHELX
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 1.75→50 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.964 / SU B: 4.178 / SU ML: 0.07 / 交差検証法: THROUGHOUT / ESU R: 0.088 / ESU R Free: 0.089 / 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
0.18733
2148
3 %
RANDOM
Rwork
0.15566
-
-
-
obs
0.15661
68349
99.24 %
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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: MASK