温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7.8 詳細: PROTEIN (0.47MM) IS INCUBATED WITH 10MM OF PYRAZINE, THE COMPLEX WAS CRYSTALLISED FROM 2M AMMONIUM SULFATE, AND 5% ISOPROPANOL IN HANGING DROPS, AT 20 DEGREES, pH 7.80
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.97 Å / 相対比: 1
反射
解像度: 1.93→15 Å / Num. obs: 26679 / % possible obs: 99.2 % / 冗長度: 3.2 % / Biso Wilson estimate: 30.5 Å2 / Rsym value: 0.067 / Net I/σ(I): 13.7
反射 シェル
解像度: 1.93→1.96 Å / 冗長度: 3.2 % / Mean I/σ(I) obs: 3.3 / Rsym value: 0.27 / % possible all: 99.9
反射
*PLUS
冗長度: 3.35 % / Rmerge(I) obs: 0.053
反射 シェル
*PLUS
% possible obs: 99.9 % / Rmerge(I) obs: 0.258
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解析
ソフトウェア
名称
バージョン
分類
CNS
0.5
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
CNS
位相決定
精密化
構造決定の手法: OTHER / 解像度: 1.93→15 Å / Rfactor Rfree error: 0.007 / Data cutoff high absF: 1367052.68 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 詳細: N-TERMINUS FROM RESIDUE 1 TO 8, IN SUBUNIT A AND 1 TO 10 IN SUBUNIT B, ARE NOT VISIBLE IN THE ELECTRON DENSITY, DUE TO FLEXIBILITY. ALTERNATE POSITIONS ARE PRESENT FOR SIDE CHAIN OF RESIDUES ...詳細: N-TERMINUS FROM RESIDUE 1 TO 8, IN SUBUNIT A AND 1 TO 10 IN SUBUNIT B, ARE NOT VISIBLE IN THE ELECTRON DENSITY, DUE TO FLEXIBILITY. ALTERNATE POSITIONS ARE PRESENT FOR SIDE CHAIN OF RESIDUES 19A, 79A, 81A, 123A, 76B THE ATOMS CONCERNED HAVE OCCUPANCY BETWEEN 0.0 AND 1.0 AND A SEGID AC1 AND AC2 OFTEN, OCCUPANCY VALUES LOWER THAN 1.0 APPEARED TO JUSTIFY BETTER THE ELECTRON DENSITY. FOR THIS REASON WE HAVE KEPT THIS LOW OCCUPANCY FOR SEVERAL SIDE CHAIN ATOMS.