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1Z55

Effect of alcohols on protein hydration

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date2004-05-09
DetectorMAR scanner 345 mm plate
Wavelength(s)1.5418
Spacegroup nameP 43 21 2
Unit cell lengths79.216, 79.216, 37.853
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.000 - 1.900
R-factor0.2181
Rwork0.218
R-free0.25600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2lym
RMSD bond angle0.004
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0002.100
High resolution limit [Å]1.9001.900
Rmerge0.021
Number of reflections8824
<I/σ(I)>4
Completeness [%]88.7
Redundancy14.114.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.6298sodium chloride, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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