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3FMS

Crystal structure of TM0439, a GntR transcriptional regulator

Replaces:  3DBW
Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.1
Synchrotron siteALS
Beamline8.2.1
Temperature [K]173
Detector technologyCCD
Collection date2007-08-10
DetectorADSC QUANTUM 315
Wavelength(s)0.97960, 0.95370, 0.97980
Spacegroup nameC 1 2 1
Unit cell lengths85.188, 71.718, 43.323
Unit cell angles90.00, 104.59, 90.00
Refinement procedure
Resolution36.163 - 2.200
R-factor0.161
Rwork0.157
R-free0.22800
Structure solution methodMAD
RMSD bond length0.017
RMSD bond angle1.310
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSHELX
Refinement softwarePHENIX
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.280
High resolution limit [Å]2.2002.200
Rmerge0.0510.228
Number of reflections12695
<I/σ(I)>46.35.1
Completeness [%]98.488.3
Redundancy7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.529335% 2-methyl-2,4-pentanediol, 0.1 M Sodium acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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