#1: ジャーナル: Acta Crystallogr.,Sect.D / 年: 2004 タイトル: Purification, Crystallisation and Preliminary X-Ray Difffraction of a Proteolytic Fragment of Pdk1, Containing the Pleckstrin Homology Domain 著者: Komander, D. / Deak, M. / Morrice, N. / Van Aalten, D.M.F.
SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
解像度: 1.5→25 Å / Num. obs: 23341 / % possible obs: 98.6 % / Observed criterion σ(I): 2 / 冗長度: 3.7 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 17.7
反射 シェル
解像度: 1.5→1.58 Å / 冗長度: 3.3 % / Rmerge(I) obs: 0.44 / Mean I/σ(I) obs: 3.2 / % possible all: 99.5
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.1.24
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
RSPS
位相決定
MLPHARE
位相決定
直接法
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 1.5→25 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.947 / SU B: 1.332 / SU ML: 0.05 / 交差検証法: THROUGHOUT / ESU R: 0.088 / ESU R Free: 0.078 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE SIDE CHAINS OF SOME DISORDERED RESIDUES WERE REFINED EITHER WITH THE OCCUPANCY SET TO 0.02, OR THE RESIDUE WAS MUTATED TO ALA.
Rfactor
反射数
%反射
Selection details
Rfree
0.2
617
2.7 %
RANDOM
Rwork
0.145
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obs
0.147
22641
98.2 %
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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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK