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 10-STRANDED BARREL THIS IS REPRESENTED BY A 11-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
THERE IS AN ADDITIONAL TRIPEPTIDE (WITH SEQUENCE GLY-SER- HIS) AT THE N-TERMINUS LEFT OVER AFTER ...THERE IS AN ADDITIONAL TRIPEPTIDE (WITH SEQUENCE GLY-SER- HIS) AT THE N-TERMINUS LEFT OVER AFTER PROTEOLYTIC CLEAVAGE OF THE HIS-TAG
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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: 3.12 Å3/Da / 溶媒含有率: 60.6 % / 解説: NONE
結晶化
手法: 蒸気拡散法 / pH: 6.5 詳細: VAPOR DIFFUSION. PROTEIN AT 10 MG PER ML WAS MIXED WITH AN EQUAL VOLUME OF 3 M SODIUM FORMATE, 2 MM DITHIOTHREITOL IN 100 MM HEPES BUFFER AT PH 6.5
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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: 1.542
検出器
タイプ: MAR scanner 345 mm plate / 検出器: IMAGE PLATE / 日付: 2008年3月19日 / 詳細: MIRRORS
放射
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: 1.542 Å / 相対比: 1
反射
解像度: 2.99→23.24 Å / Num. obs: 8365 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / 冗長度: 13.12 % / Biso Wilson estimate: 26.1 Å2 / Rmerge(I) obs: 0.14 / Net I/σ(I): 5.5
反射 シェル
解像度: 3.1→3.27 Å / 冗長度: 12.19 % / Rmerge(I) obs: 0.29 / Mean I/σ(I) obs: 2.73 / % possible all: 100
解像度: 3.1→23.24 Å / Cor.coef. Fo:Fc: 0.914 / Cor.coef. Fo:Fc free: 0.883 / SU B: 18.226 / SU ML: 0.302 / 交差検証法: THROUGHOUT / ESU R Free: 0.409 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY.
Rfactor
反射数
%反射
Selection details
Rfree
0.23586
411
4.9 %
RANDOM
Rwork
0.17864
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obs
0.1815
7947
99.98 %
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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