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3MZB

X-ray structure of NikA in complex with the doubly hydroxylated iron complex, 1-O2

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Detector technologyCCD
Collection date2008-06-14
DetectorADSC QUANTUM 315r
Wavelength(s)0.96850
Spacegroup nameP 21 21 21
Unit cell lengths87.040, 93.873, 124.726
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.930 - 1.700
R-factor0.18909
Rwork0.187
R-free0.22312
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1zlq
RMSD bond length0.011
RMSD bond angle1.362
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.930
High resolution limit [Å]1.7001.800
Number of reflections108346
<I/σ(I)>16.425.45
Completeness [%]96.092
Redundancy5.45.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.72931.8M ammonium sulfate, 0.1M sodium acetate, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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