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1JGS

Multiple Antibiotic Resistance Repressor, MarR

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X8C
Synchrotron siteNSLS
BeamlineX8C
Temperature [K]100
Detector technologyCCD
DetectorADSC QUANTUM 4
Wavelength(s)1.072
Spacegroup nameI 41 2 2
Unit cell lengths62.000, 62.000, 132.890
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.300
R-factor0.247

*

Rwork0.247
R-free0.28700
Structure solution methodMAD
RMSD bond length0.009

*

RMSD bond angle1.300

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.380
High resolution limit [Å]2.3002.300
Rmerge0.0600.200
Total number of observations56495

*

Number of reflections6069
<I/σ(I)>21.112
Completeness [%]99.5100
Redundancy9.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1unknown

*

5.6

*

290PEG MME 5000, ammonium sulfate, sodium salicylate, heptanetriol, glycerol, DTT, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
111PEG5000 MME18 (%(w/v))
211ammonium sulfate200 (mM)
311citrate100 (mM)pH5.6

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PDB entries from 2024-07-17

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