ENGINEERED RESIDUE IN CHAIN A, ALA 109 TO THR ENGINEERED RESIDUE IN CHAIN A, GLN 277 TO GLY ...ENGINEERED RESIDUE IN CHAIN A, ALA 109 TO THR ENGINEERED RESIDUE IN CHAIN A, GLN 277 TO GLY ENGINEERED RESIDUE IN CHAIN A, LEU 296 TO MET ENGINEERED RESIDUE IN CHAIN B, ALA 109 TO THR ENGINEERED RESIDUE IN CHAIN B, GLN 277 TO GLY ENGINEERED RESIDUE IN CHAIN B, LEU 296 TO MET ENGINEERED RESIDUE IN CHAIN C, ALA 109 TO THR ENGINEERED RESIDUE IN CHAIN C, GLN 277 TO GLY ENGINEERED RESIDUE IN CHAIN C, LEU 296 TO MET ENGINEERED RESIDUE IN CHAIN D, ALA 109 TO THR ENGINEERED RESIDUE IN CHAIN D, GLN 277 TO GLY ENGINEERED RESIDUE IN CHAIN D, LEU 296 TO MET
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 4.8 Å3/Da / 溶媒含有率: 70 % / 解説: NONE
結晶化
pH: 3.8 詳細: 0.1 M SODIUM CITRATE PH 3.8, 0.1 M LIS04 AND 26% PEG 400 WITH 1% FACADE-EM AND 1% HEPTYL-THIOL-B-D-GLUCOSIDE AS ADDITIVES
モノクロメーター: SI (111) DOUBLE CRYSTAL MONOCHROMATOR 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: 0.9793 Å / 相対比: 1
反射
解像度: 3.5→56 Å / Num. obs: 37951 / % possible obs: 94.6 % / Observed criterion σ(I): -3 / 冗長度: 8.2 % / Biso Wilson estimate: 157.22 Å2 / Rmerge(I) obs: 0.04 / Net I/σ(I): 22
反射 シェル
解像度: 3.5→3.54 Å / 冗長度: 7.2 % / Rmerge(I) obs: 1.11 / Mean I/σ(I) obs: 1.4 / % possible all: 69.5
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解析
ソフトウェア
名称
バージョン
分類
PHENIX
(PHENIX.REFINE)
精密化
XDS
データ削減
XSCALE
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: PRELIMINARY MODEL 解像度: 3.5→56.98 Å / SU ML: 0.51 / σ(F): 1.31 / 位相誤差: 40.03 / 立体化学のターゲット値: ML 詳細: REBUILDING WAS CARRIED OUT WITH AVERAGED MAPS. SULPHATE AND DDM WERE TENTATIVELY MODELLED INTO DENSITY AT THE DIMER INTERFACE BUT THE DENSITY COULD EQUALLY WELL ARISE FROM BOUND LIPIDS ETC.
Rfactor
反射数
%反射
Rfree
0.3127
4053
5.5 %
Rwork
0.2866
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obs
0.288
73588
94.15 %
溶媒の処理
減衰半径: 0.98 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 80.592 Å2 / ksol: 0.22 e/Å3