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2RAY

beta-chlorophenetole in complex with T4 lysozyme L99A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]110
Detector technologyIMAGE PLATE
Collection date2006-11-26
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 32 2 1
Unit cell lengths60.462, 60.462, 96.004
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution52.340 - 1.798
R-factor0.188
Rwork0.187
R-free0.21200
Starting model (for MR)184l
RMSD bond length0.014
RMSD bond angle1.249
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareREFMAC (5.2)
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]52.3401.840
High resolution limit [Å]1.7981.798
Number of reflections19434
Completeness [%]99.798.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1hanging drop7.12772.2M sodium-potassium phosphate, 0.05M beta-mercaptoethanol, 0.05M 2-hydroxyethyldisulfide, pH 7.1, hanging drop, temperature 277K

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