CROSS RELAXATION BETWEEN 13CA-1HA DIPOLAR AND 13C' CHEMICAL SHIFT ANISOTROPY
1
5
1
CROSS RELAXATION BETWEEN 13CA-1HA AND 15N-1HN DIPOLAR INTERACTIONS
NMR実験の詳細
Text: HNCA, HN(CO)CA, HNCACB, CACB(CO)NH AND HNCO EXPERIMENTS WERE USED TO OBTAIN SEQUENTIAL ASSIGNMENTS FOR THE BACKBONE. SIDE-CHAIN RESONANCES WERE ASSIGNED USING TOCSY-15N-HSQC, C(CO)NH, H(CCO)NH ...Text: HNCA, HN(CO)CA, HNCACB, CACB(CO)NH AND HNCO EXPERIMENTS WERE USED TO OBTAIN SEQUENTIAL ASSIGNMENTS FOR THE BACKBONE. SIDE-CHAIN RESONANCES WERE ASSIGNED USING TOCSY-15N-HSQC, C(CO)NH, H(CCO)NH AND HC(C)H-TOCSY EXPERIMENTS.
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試料調製
詳細
Solution-ID
内容
1
1MMS12DBD, 10MMNACL, 5MMMGCL2, 0.02% NAN3, 5MMDTT
2
1MMS12DBD, 10MMNACL, 5MMMGCL2, 0.02% NAN3, 5MMDTT
試料状態
イオン強度: 15 mM / pH: 6.1 / 圧: AMBIENT / 温度: 300 K
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
製造業者
モデル
磁場強度 (MHz)
Spectrometer-ID
Varian UNITYPLUS
Varian
UNITYPLUS
800
1
Varian UNITYPLUS
Varian
UNITYPLUS
600
2
Varian UNITYPLUS
Varian
UNITYPLUS
500
3
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解析
NMR software
名称
バージョン
開発者
分類
NMRPipe
1
DELAGLIO
精密化
ANSIG
3.3
KRAULIS
精密化
X-PLOR
3.1
BRUNGER
構造決定
精密化
手法: COMBINED DISTANCE GEOMETRY, SIMULATING ANNEALING PROCEDURE ソフトェア番号: 1 詳細: THE STRUCTURE WAS DETERMINED FROM 1042 DISTANCE RESTRAINTS, COMPLEMENTED WITH 145 RESTRAINTS ON DIHEDRAL ANGLES AND 36 RESTRAINTS ON HYDROGEN BOND LENGTHS.
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: 125 / 登録したコンフォーマーの数: 25