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1K5P

Hydrolytic haloalkane dehalogenase LINB from sphingomonas paucimobilis UT26 at 1.8A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2000-12-14
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths48.286, 68.369, 80.746
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.770 - 1.800
R-factor0.166
Rwork0.166
R-free0.22600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1cv2
RMSD bond length0.014
RMSD bond angle1.700
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.7701.980
High resolution limit [Å]1.8001.800
Rmerge0.0770.280
Number of reflections21294
<I/σ(I)>10.62.2
Completeness [%]83.760.3
Redundancy122.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP298PEG 4000, TRIS, magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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