手法: 溶液NMR 詳細: The final structures were refined in explicit water using the program CNS with 2747 conformationally restricting constraints and addtional 67 RDC constraints. This final structure were ...詳細: The final structures were refined in explicit water using the program CNS with 2747 conformationally restricting constraints and addtional 67 RDC constraints. This final structure were further refined by using restained Rosetta (http://psvs-1_4-dev.nesg.org/consRosetta.html) with the same constraints, the refined coordinated is deposited to PDB with PDB ID 2MBM, which shows better Procheck and MolProbity quality score but with higher restraint violations.
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
2D 1H-15N HSQC
1
2
1
2D 1H-13C HSQC
1
3
1
3D HNCO
1
4
1
3DCBCA(CO)NH
1
5
1
3D HN(CA)CB
1
6
1
3D 1H-13C arom NOESY
1
7
1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY
1
8
1
3D (H)CCH-TOCSY
1
9
2
2D 1H-13C HSQC aliphatic
1
10
3
2D 1H-15N HSQC
-
試料調製
詳細
Solution-ID
内容
溶媒系
1
0.69 mM [U-100% 13C; U-100% 15N] OR33.017, 90% H2O/10% D2O
90% H2O/10% D2O
2
0.69 mM [U-100% 13C; U-100% 15N] OR33.007, 90% H2O/10% D2O
90% H2O/10% D2O
3
0.69 mM [U-100% 13C; U-100% 15N] OR33.007_rdc, 90% H2O/10% D2O