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3TAL

Crystal structure of NurA with manganese

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 4A
Synchrotron sitePAL/PLS
Beamline4A
Temperature [K]100
Detector technologyCCD
Collection date2010-10-09
DetectorADSC QUANTUM 315
Wavelength(s)1.00000
Spacegroup nameP 21 21 21
Unit cell lengths64.803, 114.654, 121.624
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.478 - 3.150
R-factor0.225
Rwork0.218
R-free0.28530
Structure solution methodSAD
RMSD bond length0.006
RMSD bond angle1.296
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX (1.7_650)
Refinement softwarePHENIX ((phenix.refine: 1.7_650))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.150
High resolution limit [Å]3.1003.100
Number of reflections16937
Completeness [%]99.8100
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.529521% PEG 400, 0.1M Tris-HCl , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K

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