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1L9O

CRYSTAL STRUCTURE OF NITRITE SOAKED I257A VARIANT OF THE COPPER-CONTAINING NITRITE REDUCTASE FROM ALCALIGENES FAECALIS

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2001-05-12
DetectorRIGAKU RAXIS IIC
Spacegroup nameP 21 21 21
Unit cell lengths61.990, 102.350, 146.170
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 1.700
Rwork0.158
R-free0.19200
Structure solution methodismorphous
RMSD bond length0.011
RMSD bond angle1.800
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.810
High resolution limit [Å]1.7001.700
Rmerge0.0680.216
Number of reflections95895
<I/σ(I)>16.84.1
Completeness [%]93.074.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.5298sodium acetate peg 4000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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