2FY9

Solution Structure of the N-Terminal DNA Recognition Domain of the Bacillus Subtilis Transcription-State Regulator ABH


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY1-2mM AbhN, 15N,13C; 10mM KP04, 15mM KCl, 1mM DTT, 1mM EDTA, 0.02% NaN3; 95% H2O, 5% D2O95% H2O, 5% D2O ; 5% H2O, 95% D2O10mM5.5AMBIENT305
23D_15N-separated_NOESY1-2mM AbhN, 15N,13C; 10mM KP04, 15mM KCl, 1mM DTT, 1mM EDTA, 0.02% NaN3; 95% H2O, 5% D2O95% H2O, 5% D2O ; 5% H2O, 95% D2O10mM5.5AMBIENT305
33-D 13C/15N SEQUENTIAL ASSIGNMENT PROTOCOLS1-2mM AbhN, 15N,13C; 10mM KP04, 15mM KCl, 1mM DTT, 1mM EDTA, 0.02% NaN3; 95% H2O, 5% D2O95% H2O, 5% D2O ; 5% H2O, 95% D2O10mM5.5AMBIENT305
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
NMR Refinement
MethodDetailsSoftware
SIMULATED ANNEALING, DISTANCE GEOMETRYthe structures are based on a total of 2357 restraints, 2191 are NOE-derived distance constraints, 96 dihedral angle restraints,70 distance restraints from hydrogen bonds.NMRPipe
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number20
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1data analysisNMRPipeJULY 15TH 2004Frank Delaglio
2data analysisNMRView5.0Bruce Johnson
3structure solutionARIA1.2Jens Linge, Michael Nilges
4refinementARIA1.2Jens Linge, Michael Nilges