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2X2J

Crystal structure of the Gracilariopsis lemaneiformis alpha- 1,4-glucan lyase with deoxynojirimycin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsENRAF-NONIUS FR591
Temperature [K]110
Detector technologyIMAGE PLATE
Collection date2007-03-01
DetectorMAC Science DIP-2030
Spacegroup nameP 1 21 1
Unit cell lengths134.314, 91.707, 192.899
Unit cell angles90.00, 99.33, 90.00
Refinement procedure
Resolution33.190 - 2.350
R-factor0.23673
Rwork0.234
R-free0.29121
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2x2h
RMSD bond length0.010
RMSD bond angle1.301
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.430
High resolution limit [Å]2.3502.350
Rmerge0.2100.690
Number of reflections175340
<I/σ(I)>4.31
Completeness [%]91.085.2
Redundancy42
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP529818-21% PEG 8000, 0.1 M SODIUM ACETATE, PH 5.0-5.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K

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