Mass: 13887.922 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) artificial gene (others) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)pMgK
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR Details: 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 ...Details: 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 experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
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
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Sample preparation
Details
Solution-ID
Contents
Solvent system
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