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
相対比: 1
Soln scatter
タイプ: x-ray / Buffer name: 12 MM NA PHOSPHATE, 220 MM NACL / Conc. range: 0.2-0.4 / Data analysis software list: SCTPL7, GNOM / Data reduction software list: MULTICCD / 検出器タイプ: FRELON CCD CAMERA / Mean guiner radius: 6.65 nm / Mean guiner radius esd: 0.49 nm / Min mean cross sectional radii gyration: 1.88 nm / Min mean cross sectional radii gyration esd: 0.77 nm / Num. of time frames: 1 / Protein length: 1 / Sample pH: 7.4 / Source beamline: ID02 / Source class: Y / Source type: ESRF BEAMLINE ID02 / 温度: 288 K
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解析
ソフトウェア
名称
バージョン
分類
MULTICCD
データ収集
SCTPL7
データ削減
GNOM
データ削減
Insight II
II98.0
モデル構築
SCTPL7
モデル構築
MULTICCD
データ削減
SCTPL7
データスケーリング
GNOM
データスケーリング
SCTPL7
位相決定
精密化ステップ
サイクル: LAST
タンパク質
核酸
リガンド
溶媒
全体
原子数
680
0
0
0
680
Soln scatter model
手法: CONSTRAINED SCATTERING FITTING OF HOMOLOGY MODELS コンフォーマー選択の基準: THE MODELLED SCATTERING CURVES WERE ASSESSED BY CALCULATION OF THE RG, RSX-1 AND VALUES IN THE SAME Q RANGES USED IN THE EXPERIMENTAL GUINIER FITS. MODELS WERE ...コンフォーマー選択の基準: THE MODELLED SCATTERING CURVES WERE ASSESSED BY CALCULATION OF THE RG, RSX-1 AND VALUES IN THE SAME Q RANGES USED IN THE EXPERIMENTAL GUINIER FITS. MODELS WERE THEN RANKED USING A GOODNESS-OF-FIT R-FACTOR DEFINED BY ANALOGY WITH PROTEIN CRYSTALLOGRAPHY 詳細: HOMOLOGY MODELS WERE BUILT FOR THE CYS-BOX, WAP AND FOUR FNIII DOMAINS. THE POSITIONS OF THE DOMAINS WERE DETERMINED BY AN APPROACH THAT COMBINED RANDOMISED LINKER PEPTIDE STRUCTURES PRODUCED ...詳細: HOMOLOGY MODELS WERE BUILT FOR THE CYS-BOX, WAP AND FOUR FNIII DOMAINS. THE POSITIONS OF THE DOMAINS WERE DETERMINED BY AN APPROACH THAT COMBINED RANDOMISED LINKER PEPTIDE STRUCTURES PRODUCED BY MOLECULAR DYNAMICS SIMULATIONS WITH CURVE-FITTING TO EXPERIMENTAL X-RAY SOLUTION SCATTERING DATA. A SINGLE ARRANGEMENT OF THE SIX DOMAINS IS PRESENTED, WHICH IS REPRESENTATIVE OF A FAMILY OF STRUCTURES THAT FIT THE SCATTERING DATA. MORE DETAILS ON THE MODELLING STRATEGY ARE CONTAINED IN THE PRIMARY REFERENCE. THE ALGORITHM RESULTED IN SEVERAL CLOSE APPROACHES BETWEEN ATOMS. THIS ENTRY CONTAINS FOUR SUCH PAIRS ALA 292 - PRO 318 PRO 291 - GLU 319 PRO 27 - PHE 122 TYR 225 - PHE 355 Num. of conformers calculated: 10000 / Num. of conformers submitted: 1 / 代表コンフォーマー: 1 / Software author list: ACCELRYS Software list: INSIGHT II, HOMOLOGY, DISCOVERY, BIOPOLYMER, DELPHI, O, SCTPL7, GNOM