AUTHOR STATED THAT THE UNP REFERENCE Q3HNM4 IS INCORRECT AT RESIDUE 410. THE RESIDUE IDENTITY OF ...AUTHOR STATED THAT THE UNP REFERENCE Q3HNM4 IS INCORRECT AT RESIDUE 410. THE RESIDUE IDENTITY OF 410 SHOULD BE ASP INSTEAD OF ALA BECAUSE THIS RESIDUE IS IN BINDING TO CALCIUM AND CONSERVED ACROSS THE LARGER FAMILY OF CDPKS.
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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: 2.54 Å3/Da / 溶媒含有率: 51.53 %
結晶化
温度: 298 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7 詳細: protein buffer: 25 mM HEPES pH 7.0, 5% glycerol, 500 mM NaCl, 2 mM DTT, 175 ??M EtCDPK1, 350 uM UW1354; crystallization buffer: 100 mM HEPES pH 7.0, 25% PEG 3350, 1.75% DMSO
解像度: 2.8→40 Å / Cor.coef. Fo:Fc: 0.921 / Cor.coef. Fo:Fc free: 0.892 / WRfactor Rfree: 0.2536 / WRfactor Rwork: 0.2189 / FOM work R set: 0.6832 / SU B: 59.029 / SU ML: 0.484 / SU R Cruickshank DPI: 0.38 / SU Rfree: 0.4248 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.425 / 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 : WITH TLS ADDED
Rfactor
反射数
%反射
Selection details
Rfree
0.273
1314
4.9 %
RANDOM
Rwork
0.2403
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obs
0.242
25349
96.68 %
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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