Group: Data collection / Category: chem_comp_atom / chem_comp_bond
Remark 999
sequence The mutation Y10F was created for structural studies. In addition, the P2T mutation and C- ...sequence The mutation Y10F was created for structural studies. In addition, the P2T mutation and C-terminal K, originally introduced in ZFY-6T (PDB entry 5ZNF) improve sample behavior without affecting structure.
Mass: 3599.080 Da / Num. of mol.: 1 / Mutation: P2T, Y10F / Source method: obtained synthetically Details: This peptide was synthesized by solid-phase synthesis. The sequence of the peptide is naturally found in Homo sapiens (human). References: UniProt: P08048
Mass: 65.409 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Zn
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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
2D NOESY
1
2
2
2D NOESY
1
3
1
DQF-COSY
1
4
2
DQF-COSY
2
5
3
3D-TOCSY-NOESY
2
6
3
2D-ROESY
2
7
4
2D-ROESY
NMR details
Text: This structure was determined using 2D and 3D homonuclear techniques. This structure represents a refinement of the structure originally published in secondary citation #1 (Qian, X. and Weiss, ...Text: This structure was determined using 2D and 3D homonuclear techniques. This structure represents a refinement of the structure originally published in secondary citation #1 (Qian, X. and Weiss, M.A.). Additional constraints were determined using higher-concentration samples and by homonuclear 3D-NMR methods.
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Sample preparation
Details
Solution-ID
Contents
Solvent system
1
2mM ZFY-6T[Y10F]
90% H2O/10% D2O
2
2mM ZFY-6T[Y10F]
99.98% D2O.
3
5mM ZFY-6T[Y10F]
90% H2O/10% D2O
4
5mM ZFY-6T[Y10F]
99.98% D2O.
Sample conditions
Conditions-ID
Ionic strength
pH
Pressure (kPa)
Temperature (K)
1
50mM d11-Tris-HCl, 2.2mM ZnCl2
6.0
ambient
298K
2
50mM d11-Tris-HCl, 5.5mM ZnCl2
6.0
ambient
298K
Crystal grow
*PLUS
Method: other / Details: NMR
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NMR measurement
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelength
Relative weight: 1
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Varian VXRS
Varian
VXRS
500
1
Varian UNITYPLUS
Varian
UNITYPLUS
500
2
Varian INOVA
Varian
INOVA
500
3
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Processing
NMR software
Name
Version
Developer
Classification
VNMR
4.3-5.3
Varian, Inc.
collection
NHFIT
Redfield, C.
dataanalysis
DGII
Standalone
Havel, T.F.
structuresolution
X-PLOR
3.1
Brunger, A.T.
refinement
VNMR
4.3-5.3
Varian, Inc.
processing
Refinement
Method: Distance geometry, Simulated annealing, restrained molecular dynamics. Software ordinal: 1 Details: Structures are based on 229 interresidue NOE-derived distance constraints, 24 dihedral angle restraints, and 10 hydrogen bond restraints.
NMR representative
Selection criteria: fewest violations
NMR ensemble
Conformer selection criteria: structures with the least restraint violations Conformers calculated total number: 52 / Conformers submitted total number: 25
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