SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB" 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 "BB" 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.
ACCORDING TO THE AUTHORS THE CONFLICTS IN SEQADV ARE ALL VARIANTS
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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: 2.51 Å3/Da / 溶媒含有率: 47.5 %
結晶化
pH: 6.5 詳細: 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CACODYLATE PH 6.5, 30 % PEG 8000) AND 0.25 MICROLITER OF 40 % V/V GAMMA-BUTYROLACTONE TO A 1 PLUS MICROLITER DROP
モノクロメーター: SI(111) / 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: 1.28202 Å / 相対比: 1
反射
解像度: 2.25→20 Å / Num. obs: 65956 / % possible obs: 100 % / Observed criterion σ(I): 2 / 冗長度: 25.4 % / Rmerge(I) obs: 0.11 / Net I/σ(I): 7.7
反射 シェル
解像度: 2.25→2.33 Å / 冗長度: 18.6 % / Rmerge(I) obs: 0.48 / Mean I/σ(I) obs: 7.6 / % possible all: 100
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.2.0005
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
SOLVE
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 2.25→20 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.912 / SU B: 10.388 / SU ML: 0.139 / 交差検証法: THROUGHOUT / ESU R: 0.238 / ESU R Free: 0.194 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 31 TO 40 ARE DISORDERED
Rfactor
反射数
%反射
Selection details
Rfree
0.22
659
1 %
RANDOM
Rwork
0.169
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obs
0.169
65296
99.9 %
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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: BABINET MODEL WITH MASK