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1HDE

HALOALKANE DEHALOGENASE MUTANT WITH PHE 172 REPLACED WITH TRP

Experimental procedure
Detector technologyDIFFRACTOMETER
Collection date1994-05
DetectorENRAF-NONIUS FAST
Spacegroup nameP 1 21 1
Unit cell lengths95.680, 73.530, 41.600
Unit cell angles90.00, 91.32, 90.00
Refinement procedure
Resolution8.000 - 2.700
R-factor0.205
Rwork0.205
R-free0.25800
RMSD bond length0.012

*

RMSD bond angle1.900

*

Data reduction softwareMADNES
Phasing softwareX-PLOR
Refinement softwareX-PLOR
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.000

*

High resolution limit [Å]2.670

*

2.670

*

Rmerge0.1010.312

*

Total number of observations43099

*

Number of reflections15796
Completeness [%]93.683.1

*

Redundancy2.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

5.8pH 5.8
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirammonium sulfate52-56 (%(w/v)sat)
21reservoirMES100 (mM)

238268

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