SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
THE INHIBITOR IN THE ACTIVE SITE IS DISORDERED AND PROBABLY PRESENT IN MORE THAN THE TWO DEPOSITED ...THE INHIBITOR IN THE ACTIVE SITE IS DISORDERED AND PROBABLY PRESENT IN MORE THAN THE TWO DEPOSITED CONFORMATIONS. THE TWO CONFORMATIONS CORRESPOND TO THOSE OF LOW ENERGY AND THE DISTORTED SKEW-BOAT CONFORMATION NECESSARY FOR THE CATALYTIC MECANISM
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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: 2.57 Å3/Da / 溶媒含有率: 52.05 %
結晶化
pH: 5.6 詳細: 27 % PEG 4000, 1.5 % 1,2,3-HEPTANETRIOL 0.2 M AMMONIUM ACETATE, 0.1 M SODIUM CITRATE PH 5.6
結晶化
*PLUS
pH: 7 / 手法: 蒸気拡散法, ハンギングドロップ法
溶液の組成
*PLUS
ID
濃度
一般名
Crystal-ID
Sol-ID
1
11mg/ml
enzyme
1
drop
2
20mM
HEPES
1
drop
3
0.1M
sodiumcitrate
1
reservoir
4
0.2M
ammoniumacetate
1
reservoir
5
27 %
PEG4000
1
reservoir
6
1.5 %
1,2,3-heptanetriol
1
drop
7
5mM
pNPTGlc
1
drop
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データ収集
回折
平均測定温度: 100 K
放射光源
由来: 回転陽極 / タイプ: RIGAKU RUH3R / 波長: 1.5418
検出器
日付: 1999年3月15日
放射
モノクロメーター: MIRRORS / 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: 1.5418 Å / 相対比: 1
反射
解像度: 2.6→40 Å / Num. obs: 340923 / % possible obs: 99 % / 冗長度: 3.1 % / Rsym value: 0.094 / Net I/σ(I): 4.2
反射 シェル
解像度: 2.59→2.65 Å / 冗長度: 2.5 % / Mean I/σ(I) obs: 2 / Rsym value: 0.263 / % possible all: 97.5