Mass: 19985.854 Da / Num. of mol.: 1 / Fragment: DNA-BINDING DOMAIN, RESIDUES 416 - 591 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line: BL21 / Cellular location: CYTOPLASM UNTIL DEPHOSPHORYLATED / Gene: NFATC1 / Plasmid: PLM1 / Gene (production host): NFATC1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) PLYSS / References: UniProt: O95644
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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
3D 15N NOESY-HSQC
1
2
1
2D 1H-1H NOESY
1
3
1
3D 13C NOESY-HSQC
1
4
1
HNHA
NMR details
Text: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY USING 13C, 15N-LABELED NFATC. IONIC_STRENGTH: 100 MM KCL PRESSURE: NULL SOLVENT SYSTEM: H2O
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Sample preparation
Sample conditions
pH: 6.5 / Temperature: 300 K
Crystal grow
*PLUS
Method: other / Details: NMR
-
NMR measurement
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Bruker DMX 500
Bruker
DMX500
500
1
Varian UNITY PLUS 750
Varian
UNITYPLUS750
750
2
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Processing
Software
Name
Classification
X-PLOR
modelbuilding
X-PLOR
refinement
X-PLOR
phasing
NMR software
Name
Developer
Classification
DIANA
WUTHRICH
refinement
DIANA
structuresolution
XPLOR
structuresolution
Refinement
Method: distance geometry / Software ordinal: 1 Details: CALCULATIONS WERE PERFORMED BASED ON 1087 EFFECTIVE NON-HYDROGEN-BOND CONSTRAINTS WITH 3 REDAC CYCLES. STRUCTURES WITH TARGET FUNCTIONS BELOW 10 WERE FURTHER REFINED BY SIMULATED ANNEALING USING X-PLOR.
NMR ensemble
Conformer selection criteria: CLOSEST BACKBONE RMSD TO THE MEAN Conformers calculated total number: 40 / Conformers submitted total number: 10
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