CRYSTAL STRUCTURE OF putative transcriptional regulator LacI from Bacillus cereus subsp. cytotoxis NVH 391-98
要素
putative transcriptional regulator
キーワード
transcription regulator / STRUCTURAL GENOMICS / PROTEIN STRUCTURE INITIATIVE / NEW YORK STRUCTURAL GENOMIX RESEARCH CONSORTIUM / NYSGXRC / DNA-binding / Transcription / Transcription regulation / PSI-2 / New York SGX Research Center for Structural Genomics
解像度: 2.7→50 Å / Num. obs: 48261 / % possible obs: 99.9 % / 冗長度: 6.4 % / Rmerge(I) obs: 0.096 / Net I/σ(I): 8
反射 シェル
解像度: 2.7→2.75 Å / 冗長度: 4.9 % / % 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
NB
DENZO
データ削減
SCALEPACK
データスケーリング
REFMAC
5.5.0089
精密化
PDB_EXTRACT
3.005
データ抽出
HKL-2000
データ削減
SHELXS
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 2.8→20 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.911 / Occupancy max: 1 / Occupancy min: 0.4 / SU B: 21.107 / SU ML: 0.181 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R: 0.123 / ESU R Free: 0.066 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. The maltose binding is only suggested based a) on the shape of electron density, b) the fact that other members of this group of proteins ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. The maltose binding is only suggested based a) on the shape of electron density, b) the fact that other members of this group of proteins bind maltose or lactose, c) suggested inhibitor makes multiple favorable contacts in the binding site. Lactose does not fit the density, but we can not exclude that some other similar sugar is bound. PLEASE REMOVE "complexed with maltose" from the title, and just add remark that maltose binding is SUGGESTED.
Rfactor
反射数
%反射
Selection details
Rfree
0.24388
1191
5.1 %
RANDOM
Rwork
0.20297
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obs
0.20503
22103
99.59 %
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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