Mass: 6754.834 Da / Num. of mol.: 1 / Fragment: RESIDUES 59-118 Source method: isolated from a genetically manipulated source Source: (gene. exp.) AQUIFEX AEOLICUS (bacteria) / Strain: VF5 / Plasmid: PET11C / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): PUBS520 / References: UniProt: O67086
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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
1
HNCA
1
2
1
NOESY-HMQC
1
3
1
TOCSY-HMQC
1
4
1
(H)CCH-TOCSY
1
5
1
NOESY
1
6
1
DQF-COSY
1
7
1
HNHA
1
8
1
HNHB
NMR details
Text: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED L20. THE FIRST 58 RESIDUES ARE PRESENT IN THE SAMPLE BUT ARE DISORDERED IN SOLUTION
Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 600 MHz
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Processing
NMR software
Name
Version
Developer
Classification
X-PLOR
3.89
BRUNGER
refinement
DIANA
structuresolution
X-PLOR
structuresolution
Refinement
Method: HYBRID : DIANA, RESTRAINED SIMULATED ANNEALING / Software ordinal: 1 Details: RESTRAINED SIMUATED ANNEALING FOLLOWED BY A FINAL MINIMIZATION USING THE CHARMM22 FORCEFIELD
NMR ensemble
Conformer selection criteria: LOWEST DIANA TARGET FUNCTION / Conformers calculated total number: 100 / Conformers submitted total number: 20
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