Text: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY.
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試料調製
詳細
Solution-ID
内容
1
4 MM CHEY U-15N, 13C, 16 MM BECL2, 100 MM NAF, 20 MM MGCL2, PH 6.7
2
3 MM U-15N, 16 MM BECL2, 100 MM NAF, 20 MM MGCL2, PH 6.7
3
3 MM U-10% 13C, 16 MM BECL2, 100 MM NAF, 20 MM MGCL2, PH 6.7
4
2MMCHEY, 16MMBECL2, 100MMNAF, 20MMMGCL2, PH6.7
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
16mMBECL2, 100mMNAF, 20mMMGCL2
6.7
AMBIENT
298K
2
16mMBECL2, 100mMNAF, 20mMMGCL2
6.7
AMBIENT
298K
3
16mMBECL2, 100mMNAF, 20mMMGCL2
6.7
AMBIENT
298K
結晶化
*PLUS
手法: other / 詳細: NMR
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NMR測定
NMRスペクトロメーター
タイプ: Bruker AMX / 製造業者: Bruker / モデル: AMX / 磁場強度: 600 MHz
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解析
NMR software
名称
バージョン
開発者
分類
DYANA
1.5
GUNTERT, MUMENTHALER, WUTHRICH
構造決定
OPAL
2.2
LUGINBUHL, GUNTERT, BILLETER, WUTHRICH
精密化
NMRPipe
1.7
DELAGLIO, BRZESIEK, VUISTER, ZHU, PFEIFER, BAX
解析
XEASY
1.3.11
BARTELS, XIA, BILLETER, GUNTERT, WUTHRICH
解析
精密化
手法: torsion angle dynamics / ソフトェア番号: 1 詳細: THE STRUCTURES ARE BASED ON A TOTAL OF 972 NON-TRIVIAL NOE RESTRAINTS (213 INTRA RESIDUE, 271 SEQUENTIAL, 238 MEDIUM-RANGE, AND 250 LONG-RANGE). 78 PHI TORSION ANGLE RESTRAINTS AND 17 CHI1 ...詳細: THE STRUCTURES ARE BASED ON A TOTAL OF 972 NON-TRIVIAL NOE RESTRAINTS (213 INTRA RESIDUE, 271 SEQUENTIAL, 238 MEDIUM-RANGE, AND 250 LONG-RANGE). 78 PHI TORSION ANGLE RESTRAINTS AND 17 CHI1 RESTRAINTS WERE USED. 47 HYDROGEN BONDS ( 94 UPPER AND LOWER DISTANCE RESTRAINTS) WERE USED IN LATER STAGES OF REFINEMENT.
代表構造
選択基準: fewest violations
NMRアンサンブル
コンフォーマー選択の基準: structures with the least restraint violations 計算したコンフォーマーの数: 60 / 登録したコンフォーマーの数: 27