BIOLOGICAL UNIT CONTAINS PROTEIN CHAINS A AND B, DNA STRANDS C AND D. THE TETRAMER (ACCORDING TO ...BIOLOGICAL UNIT CONTAINS PROTEIN CHAINS A AND B, DNA STRANDS C AND D. THE TETRAMER (ACCORDING TO PDB CONVENTIONS) IS A COMPLEX OF THE DIMERIC RESTRICTION ENZYME WITH ITS SUBSTRATE, DOUBLE STRANDED DNA. THE NATURAL PROTEIN OLIGOMERIZATION STATE IS A DIMER - THE DNA IS A SUBSTRATE. UNDER THE PHYSIOLOGICAL CONDITIONS THE PROTEIN DIMER BINDS DOUBLE STRANDED DNA AND CLEAVES IT TO TWO DOUBLE STRANDED DNA FRAGMENTS.
モノクロメーター: TRIANGULAR MONOCHROMATOR / 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: 1.05 Å / 相対比: 1
反射
解像度: 1.75→20 Å / Num. all: 48330 / Num. obs: 48330 / % possible obs: 98 % / 冗長度: 5.55 % / Biso Wilson estimate: 23.2 Å2 / Rmerge(I) obs: 0.061 / Rsym value: 0.061 / Net I/σ(I): 24.651
反射 シェル
解像度: 1.75→1.77 Å / 冗長度: 5.55 % / Rmerge(I) obs: 0.44 / Mean I/σ(I) obs: 3.265 / Num. unique all: 1895 / Rsym value: 0.44 / % possible all: 97.1
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解析
ソフトウェア
名称
バージョン
分類
SHELXCD
位相決定
SHELXD
位相決定
SHELXE
モデル構築
MLPHARE
位相決定
直接法
モデル構築
ARP/wARP
モデル構築
REFMAC
5.2.0019
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
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: 1.75→19.9 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.957 / 交差検証法: THROUGHOUT / ESU R Free: 0.106 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: THE DENSITY FOR THE NUCLEOPHILIC WATER MOLECULES (RESIDUES A173 & B172) IS VERY WEAK. IT MIGHT CORRESPOND TO A (HALF OCCUPIED) WATER MOLECULE OR A HYDROXIDE ION. ACCORDING TO THE MS DATA, THE ...詳細: THE DENSITY FOR THE NUCLEOPHILIC WATER MOLECULES (RESIDUES A173 & B172) IS VERY WEAK. IT MIGHT CORRESPOND TO A (HALF OCCUPIED) WATER MOLECULE OR A HYDROXIDE ION. ACCORDING TO THE MS DATA, THE SELENOMETHIONINE SUBSTITUTION WAS SUCCESSFUL ONLY IN PART. THEREFORE, ONLY MET56 WAS MODELED AS SELENOMETHIONINE. HOWEVER, ALL THREE MET POSITIONS ARE LIKELY TO BE PARTIALLY OCCUPIED BY MET AND PARTIALLY BY MSE.THE CNS PROGRAM HAS BEEN USED FOR DNA REFINEMENT. NO SUGAR PUCKER CONSTRAINTS HAVE BEEN APPLIED. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. TLS REFINEMENT HAS BEEN USED.
Rfactor
反射数
%反射
Selection details
Rfree
0.19218
2393
5 %
RESOLUTION SHELLS
Rwork
0.16474
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all
0.16612
48287
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obs
0.16612
48287
98 %
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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: MASK