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1FTX

Crystal structure of alanine racemase in complex with D-alanine phosphonate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date1999-11-11
DetectorRIGAKU RAXIS
Spacegroup nameP 21 21 21
Unit cell lengths98.759, 89.931, 85.235
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.520 - 2.200
R-factor0.183
Rwork0.183
R-free0.21100
RMSD bond length0.008
RMSD bond angle1.500
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.280
High resolution limit [Å]2.2002.200
Rmerge0.0800.239
Number of reflections203114
<I/σ(I)>11.1
Completeness [%]94.898.5
Redundancy41.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.529323% PEG 4000, 200mM sodium acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

220113

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