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3QSI

Nickel binding domain of NikR from Helicobacter pylori disclosing partial metal occupancy

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyCCD
Collection date2010-02-27
DetectorADSC QUANTUM 315
Wavelength(s)1.000
Spacegroup nameC 1 2 1
Unit cell lengths147.379, 79.400, 122.423
Unit cell angles90.00, 122.28, 90.00
Refinement procedure
Resolution103.500 - 3.080
R-factor0.26195
Rwork0.257
R-free0.30361
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.017
RMSD bond angle1.669
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 Overall
Low resolution limit [Å]103.500
High resolution limit [Å]3.080
Number of reflections21352
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7.52930.1 M HEPES sodium salt pH 7.5, 2 %(v/v) PEG 400, 2.0 M Ammonium sulfate, vapor diffusion, temperature 293K

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