AUTHORS STATE THAT THE CMLS SEQUENCE DEPOSITED IN DATABASE IS INCORRECT AND THE NATURALLY OCCURING ...AUTHORS STATE THAT THE CMLS SEQUENCE DEPOSITED IN DATABASE IS INCORRECT AND THE NATURALLY OCCURING PROTEIN DOES NOT ACTUALLY HAVE THESE RESIDUES. SO RESIDUES ILE 303 - VAL 308 ARE NOT PRESENT IN THE CRYSTAL
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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: 2.68 Å3/Da / 溶媒含有率: 54.11 %
結晶化
温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7.1 詳細: 0.1 M Na HEPES, 19% PEG 3350, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
解像度: 2.2→2.28 Å / 冗長度: 6.5 % / Rmerge(I) obs: 0.55 / Mean I/σ(I) obs: 4.1 / % possible all: 94.8
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解析
ソフトウェア
名称
バージョン
分類
HKL-2000
データ収集
SHARP
位相決定
REFMAC
5.5.0066
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
精密化
構造決定の手法: 単波長異常分散 / 解像度: 2.2→30 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.922 / SU B: 5.981 / SU ML: 0.154 / 交差検証法: THROUGHOUT / ESU R: 0.246 / ESU R Free: 0.216 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE RESIDUES F390, F408, R409, D499, R559, L560 WERE REFINED AS GLYCINE, AND RESIDUE R481 AS ALANINE, BECAUSE THE SIDE CHAIN DENSITY WAS NOT ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE RESIDUES F390, F408, R409, D499, R559, L560 WERE REFINED AS GLYCINE, AND RESIDUE R481 AS ALANINE, BECAUSE THE SIDE CHAIN DENSITY WAS NOT OBSERVED FOR THESE RESIDUES.
Rfactor
反射数
%反射
Selection details
Rfree
0.26056
1786
5 %
RANDOM
Rwork
0.20031
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obs
0.20329
34078
99.43 %
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all
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34273
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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: 1.4 Å / 溶媒モデル: MASK