タイプ: x-ray / Buffer name: 50 MM TRIS, 0.5 MM MgCl2 / Conc. range: 1.0-5.0 Data analysis software list: GNOM, HOME-WRITTEN SCRIPTS IN IGOR AND MATLAB Data reduction software list: MARDETECTOR, HOME-WRITTEN PROGRAM Detector specific: MARRESEARCH GMBH, GERMANY / 検出器タイプ: MARCCD 165 / Mean guiner radius: 30.9 nm / Mean guiner radius esd: 0.4 nm / Num. of time frames: 20 / Protein length: 110 / Sample pH: 6.8 / Source beamline: 12-ID,18-ID / Source class: Y / Source type: APS ARGONNE / 温度: 298 K
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解析
NMR software
名称
バージョン
開発者
分類
G2G
1
(G2G) J. Wang, X. Zuo and Y-X. Wang
generateglobalstructureofrnas
X-PLOR NIH
2.22
Schwieters, Kuszewski, TjandraandClore
精密化
精密化
手法: simulated annealing, duplex-orientation restrained / ソフトェア番号: 1 詳細: the orientations of all duplexes were restrained during the SA calculation
代表構造
選択基準: closest to the average
NMRアンサンブル
コンフォーマー選択の基準: structures with the lowest energy 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 10
Soln scatter model
手法: SIMULATED ANNEALING METHOD WITH RESTRAINTS OF X-RAY SCATTERING DATA, RDC DATA, GENERIC A-FORM GEOMETRIC DISTANCE IN DUPLEXES, GENERIC A-FORM LIKE STACKING, NMR DETECTED HYDROGEN BONDS, AND ...手法: SIMULATED ANNEALING METHOD WITH RESTRAINTS OF X-RAY SCATTERING DATA, RDC DATA, GENERIC A-FORM GEOMETRIC DISTANCE IN DUPLEXES, GENERIC A-FORM LIKE STACKING, NMR DETECTED HYDROGEN BONDS, AND SAXS MOLECULAR ENVELOPE DIMENISIONAL MEASUREMENTS. コンフォーマー選択の基準: STRUCTURES WITH LOWEST TOTAL ENERGY. THE TOTAL ENERGY INCLUDES PSEUDO-POTENTIALS OF SCATTERING TERM, RDC TERM, HYDROGEN BONDING TERM, AND OTHER REGULAR PSEUDO- ...コンフォーマー選択の基準: STRUCTURES WITH LOWEST TOTAL ENERGY. THE TOTAL ENERGY INCLUDES PSEUDO-POTENTIALS OF SCATTERING TERM, RDC TERM, HYDROGEN BONDING TERM, AND OTHER REGULAR PSEUDO-POTENTIALS IMPLEMENTED IN XPLOR-NIH. 詳細: SAXS MOLECULAR ENVELOPE WAS GENERATED USING AB INITIO MODEL CONSTRUCTION FROM SAXS BY DAMMIN AND DAMAVER. G2G WAS USED TO GENERATE INITIAL STRUCTURE. REFERENCE OF G2G IS : X. Zuo, J. Wang, P. ...詳細: SAXS MOLECULAR ENVELOPE WAS GENERATED USING AB INITIO MODEL CONSTRUCTION FROM SAXS BY DAMMIN AND DAMAVER. G2G WAS USED TO GENERATE INITIAL STRUCTURE. REFERENCE OF G2G IS : X. Zuo, J. Wang, P. Yu, D. Eyler, H. Xu, M.R. Starich, D.M. Tiede, A.E. Simon, W. Kasprzak, C.D. Schwieters, B.A. Shapiro, Y.-X. WANG, A Method for Helical RNA Global Structure Determination in Solution Using Small-Angle X-Ray Scattering and NMR Measurements; JOURNAL OF MOLECULAR BIOLOGY 2009, 393(3), 717-734. Entry fitting list: G2G INITIAL STRUCTURE / Num. of conformers calculated: 100 / Num. of conformers submitted: 10 / 代表コンフォーマー: 1 Software list: G2G, DAMMIN AND DAMAVER IN ATSAS 2.1, XPLOR-NIH