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2FWB

Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H89F from the acidophilic bacterium Acetobacter aceti, at pH 8

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]111
Detector technologyIMAGE PLATE
Collection date2005-11-01
DetectorRIGAKU RAXIS IV
Wavelength(s)1.54
Spacegroup nameI 4 2 2
Unit cell lengths99.668, 99.668, 163.906
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.430 - 2.000
R-factor0.178
Rwork0.178
R-free0.20600
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1u11
RMSD bond length0.005
RMSD bond angle1.300
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.070
High resolution limit [Å]2.0002.000
Number of reflections27131
<I/σ(I)>16.62.8
Completeness [%]95.897
Redundancy3.93.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82980.2M lithium sulfate 0.1M Tris, pH 8 30% (w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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