pH: 5.1 詳細: PROTEIN WAS CRYSTALLIZED FROM 13-16% PEG 6000, 300 MM AMMONIUM SULFATE, 0.2% BETA-OCTYLGLUCOSIDE, 50 MM SODIUM SUCCINATE, PH 5.1, AND 1 MM SAMARIUM NITRATE.
解像度: 1.55→40 Å / Num. obs: 26609 / % possible obs: 98 % / Observed criterion σ(I): 0 / 冗長度: 3.9 % / Biso Wilson estimate: 14.6 Å2 / Rsym value: 0.085 / Net I/σ(I): 11.7
反射
*PLUS
Num. measured all: 104445 / Rmerge(I) obs: 0.085
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解析
ソフトウェア
名称
バージョン
分類
X-PLOR
3.1
モデル構築
X-PLOR
3.1
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
X-PLOR
3.1
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 1.6→15 Å / Data cutoff high absF: 10000000 / Data cutoff low absF: 0.001 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 詳細: THE POSITIONAL COORDINATES OF SM 182, THE SAMARIUM ION ON THE CRYSTALLOGRAPHIC TWO-FOLD AXIS, WAS HELD AT 0,0,0 DURING THE REFINEMENT TO PREVENT OSCILLATION OF THE PROTEIN POSITIONAL ...詳細: THE POSITIONAL COORDINATES OF SM 182, THE SAMARIUM ION ON THE CRYSTALLOGRAPHIC TWO-FOLD AXIS, WAS HELD AT 0,0,0 DURING THE REFINEMENT TO PREVENT OSCILLATION OF THE PROTEIN POSITIONAL COORDINATES. THE MODEL INCLUDES AN X-PLOR BULK SOLVENT CORRECTION WITH PARAMETERS SOLRAD=0.25, DENSITY=0.55, B=100. LYS 40 HAS PHI/PSI VALUES THAT ARE NORMALLY DISALLOWED. IN SOME OTHER PRTASES, THIS PEPTIDE IS TYPICALLY FOUND IN THE CIS CONFORMATION. SEVENTEEN RESIDUES ARE MODELED IN ALTERNATIVE CONFORMATIONS. THESE ARE LEU 8, GLU 10, GLN 11, ARG 14, ARG 19, GLU 52, GLN 56, THR 70, LYS 100, VAL 107, VAL 122, ARG 126, SER 128, VAL 136, ILE 145, LYS 152, AND MET 163. ONLY THE MAIN CHAIN AND C-BETA ATOMS OF ASN 180 WERE VISIBLE IN THE ELECTRON DENSITY. LYS 40 HAS PHI/PSI VALUES THAT ARE NORMALLY DISALLOWED. IN SOME OTHER PRTASES, THIS PEPTIDE IS TYPICALLY FOUND IN THE CIS CONFORMATION.