BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 1 ... BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 1 CHAIN(S). AUTHORS STATE THAT THE BIOLOGICAL UNIT OF THIS PROTEIN IS A MONOMER. SEE REMARK 350 FOR INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). THE ANALYSIS OF PROTEIN INTERFACES PREDICTS THAT THE BIOLOGICAL UNIT COULD HAVE THE FOLLOWING DIMERIC ASSEMBLY: CHAIN A (X,Y,Z (1_555); Y,X,-Z (4_555)).
モノクロメーター: SI-III / 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: 0.9792 Å / 相対比: 1
反射
解像度: 2.7→50 Å / Num. all: 19968 / Num. obs: 19968 / % possible obs: 94.4 % / Observed criterion σ(F): 0 / 冗長度: 19 % / Biso Wilson estimate: 39.2 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 11.1
反射 シェル
解像度: 2.7→2.8 Å / 冗長度: 10.1 % / Rmerge(I) obs: 0.3 / Mean I/σ(I) obs: 1 / Num. unique all: 1297 / % possible all: 63
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解析
ソフトウェア
名称
バージョン
分類
CNS
1.1
精密化
CBASS
データ収集
HKL-2000
データ削減
HKL-2000
データスケーリング
SHARP
位相決定
SHELXD
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 2.7→44.44 Å / Rfactor Rfree error: 0.012 / Data cutoff high absF: 82865.97 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: Engh & Huber 詳細: Missing residues listed in Remark 465 are due to lack of electron density in those regions.