Mass: 15932.979 Da / Num. of mol.: 1 / Mutation: C1A Source method: isolated from a genetically manipulated source Details: FUSION PROTEIN OF N-INTEIN PART FROM DNA POLYMERASE III ALPHA SUBUNIT (RESIDUES 1-102) AND C-INTEIN PART FROM NUCLEIC ACID BINDING OB-FOLD, TRNA/HELICASE-TYPE (RESIDUES 103-137) Source: (gene. exp.) Nostoc punctiforme PCC 73102 (bacteria) Gene: DnaE, Npun_F4872 / Production host: Escherichia coli (E. coli) / Strain (production host): ER2566 / References: UniProt: B2J066, UniProt: B2J821
Sequence details
FUSION PROTEIN OF N-INTEIN PART FROM DNA POLYMERASE III ALPHA SUBUNIT (RESIDUES 1-102) AND C-INTEIN ...FUSION PROTEIN OF N-INTEIN PART FROM DNA POLYMERASE III ALPHA SUBUNIT (RESIDUES 1-102) AND C-INTEIN PART FROM NUCLEIC ACID BINDING OB-FOLD, TRNA/HELICASE-TYPE (RESIDUES 103-137)
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
2
3D 1H-15N NOESY
1
2
1
3D 1H-13C NOESY
NMR details
Text: 3D 1H-15N NOESY and 3D 1H-13C NOESY spectra were recorded with a mixing time of 80 and 70 msec, respectively.
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Sample preparation
Details
Solution-ID
Contents
Solvent system
1
2 mM [U-99% 13C; U-99% 15N] NpuDnaE-1, 10 mM sodium phosphate-2, 90% H2O/10% D2O
90% H2O/10% D2O
2
2 mM [U-20% 13C; U-99% 15N] NpuDnaE-3, 10 mM sodium phosphate-4, 90% H2O/10% D2O
Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, Kollm
refinement
Refinement
Method: molecular dynamics / Software ordinal: 1
NMR constraints
NOE constraints total: 3154 / NOE intraresidue total count: 712 / NOE long range total count: 1223 / NOE medium range total count: 433 / NOE sequential total count: 786
NMR representative
Selection criteria: closest to the average
NMR ensemble
Conformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 20 / Maximum lower distance constraint violation: 0 Å / Maximum upper distance constraint violation: 0.33 Å / Representative conformer: 1
NMR ensemble rms
Distance rms dev: 0.0032 Å / Distance rms dev error: 0.0007 Å
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