Text: ALL TRIPLE-RESONANCE AND NOESY SPECTRA WERE ACQUIRED USING A CRYOGENIC PROBE.
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試料調製
詳細
内容: 0.5 MM 13C,15N-LABELED BC019655, 10 MM BIS-TRIS, 100 MM NACL, 10 MM DTT, 50 MM ARGININE HYDROCHLORIDE, 50 MM SODIUM GLUTAMATE, 90% H2O, 10% D2O 溶媒系: 90% H2O/10% D2O
G. MariusClore, JohnKuszewski, CharlesD. Schwieters, NicoTjandra.
精密化
VNMR 1.1
構造決定
NMRPIPE 97.027.12.56.
構造決定
SPARKY 3.72
構造決定
CYANA 2.1
構造決定
XPLOR-NIH 2.9.3.
構造決定
精密化
手法: TORSION ANGLE DYNAMICS FOR INITIAL STRUCTURE CALCULATION, MOLECULAR DYNAMICS, SIMULATED ANNEALING FOR FINAL STRUCTURE REFINEMENT ソフトェア番号: 1 詳細: STRUCTURES ARE BASED ON A TOTAL OF 1885 NOE RESTRAINTS (801 INTRA, 449 SEQUENTIAL, 277 MEDIUM, AND 358 LONG RANGE), 76 HBOND RESTRAINTS, AND 172 PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS.
代表構造
選択基準: lowest energy
NMRアンサンブル
コンフォーマー選択の基準: target function / 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: 20