- PDB-1o22: Crystal structure of an orphan protein (TM0875) from Thermotoga m... -
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IDまたはキーワード:
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基本情報
登録情報
データベース: PDB / ID: 1o22
タイトル
Crystal structure of an orphan protein (TM0875) from Thermotoga maritima at 2.00 A resolution
要素
orphan protein TM0875
キーワード
UNKNOWN FUNCTION / ORPHAN PROTEIN / STRUCTURAL GENOMICS / JOINT CENTER FOR STRUCTURAL GENOMICS / JCSG / PROTEIN STRUCTURE INITIATIVE / PSI
機能・相同性
Orphan Protein Tm0875; Chain: A; / Hypothetical protein TM0875 / Domain of unknown function DUF3855 / Hypothetical protein TM0875 / Domain of Unknown Function with PDB structure (DUF3855) / Alpha-Beta Complex / Alpha Beta / DUF3855 domain-containing protein
解像度: 2→32.159 Å / Num. obs: 12462 / % possible obs: 99 % / 冗長度: 11.8 % / Biso Wilson estimate: 36.49 Å2 / Rsym value: 0.061 / Net I/σ(I): 28.1
反射 シェル
解像度: 2→2.05 Å / 冗長度: 6.2 % / Mean I/σ(I) obs: 3.2 / Rsym value: 0.375 / % possible all: 90.9
反射
*PLUS
最高解像度: 2 Å / 最低解像度: 32.16 Å / Num. measured all: 148070 / Rmerge(I) obs: 0.061
反射 シェル
*PLUS
% possible obs: 90.9 % / Rmerge(I) obs: 0.375 / Mean I/σ(I) obs: 2
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
精密化
SCALA
データスケーリング
RESOLVE
モデル構築
SOLVE
位相決定
CNS
精密化
XFIT
データ削減
MOSFLM
データ削減
CCP4
(SCALA)
データスケーリング
RESOLVE
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2→29.49 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.933 / SU B: 8.183 / SU ML: 0.111 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: Isotropic / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.175 / ESU R Free: 0.167 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: THE BIOLOGICAL UNIT APPEARS TO BE A DIMER THAT STRADDLES THE CRYSTALLOGRAPHIC 4-FOLD. TLS GROUPS WERE CHOSEN WITH REFERENCE TO THE DIMER. WEAK DENSITY BOTH BEFORE FIRST AND AFTER LAST RESIDUE ...詳細: THE BIOLOGICAL UNIT APPEARS TO BE A DIMER THAT STRADDLES THE CRYSTALLOGRAPHIC 4-FOLD. TLS GROUPS WERE CHOSEN WITH REFERENCE TO THE DIMER. WEAK DENSITY BOTH BEFORE FIRST AND AFTER LAST RESIDUE SUGGESTS THE GENERAL POSITION OF MORE N- AND C-TERMINAL RESIDUES THAN MODELLED HERE. CNS_SOLVE 1.1/CNS/XFIT/CCP4/TLS WERE ALSO USED IN REFINEMENT.
Rfactor
反射数
%反射
Selection details
Rfree
0.238
887
7.1 %
RANDOM
Rwork
0.182
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obs
0.186
11574
99 %
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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