SEQUENCE CLONING ARTIFACT: EXPERIMENTAL PHASING RESULTS REVEALED THAT RESIDUE 31 IS ... SEQUENCE CLONING ARTIFACT: EXPERIMENTAL PHASING RESULTS REVEALED THAT RESIDUE 31 IS SELENOMETHIONINE IN THE EXPRESSED CONSTRUCT AND NOT A VALINE AS PREDICTED BY THE SEQUENCE.
マシュー密度: 2.9 Å3/Da / 溶媒含有率: 57.25 % 解説: 1JV1 MODEL WAS USED TO GENERATE SE SITES FOR THREE WAVELENGTH MAD PHASING, WHICH WAS USED TO GENERATE RESTRAINTS FOR REFINEMENT.
解像度: 2.5→29.11 Å / Num. obs: 42134 / % possible obs: 99.3 % / 冗長度: 3.4 % / Biso Wilson estimate: 54.17 Å2 / Rsym value: 0.073 / Net I/σ(I): 9.5
反射 シェル
解像度: 2.5→2.64 Å / 冗長度: 3.3 % / Mean I/σ(I) obs: 2.7 / Num. unique all: 5964 / Rsym value: 0.402 / % possible all: 96.9
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解析
ソフトウェア
名称
バージョン
分類
MOSFLM
データ削減
SCALA
4.2)
データスケーリング
SHARP
位相決定
REFMAC
5.2.0005
精密化
CCP4
(SCALA)
データスケーリング
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2.5→29.11 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.9 / SU B: 25.032 / SU ML: 0.256 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R: 0.476 / ESU R Free: 0.297 立体化学のターゲット値: MAXIMUM LIKELIHOOD WITH PHASES 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOMS WITH INSUFFICIENT DENSITY HAVE NOT BEEN MODELED, INCLUDING REGIONS A453-476 AND B454-476.
Rfactor
反射数
%反射
Selection details
Rfree
0.26573
2124
5 %
RANDOM
Rwork
0.20676
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obs
0.20971
39990
99.2 %
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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