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2XT0

Dehalogenase DPpA from Plesiocystis pacifica SIR-I

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007
Temperature [K]100
Detector technologyCCD
Collection date2009-05-04
DetectorRIGAKU SATURN 92
Spacegroup nameP 21 21 2
Unit cell lengths47.262, 108.501, 67.312
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution67.310 - 1.900
R-factor0.22081
Rwork0.219
R-free0.24801
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1edb
RMSD bond length0.023
RMSD bond angle1.854
Data reduction softwareCrystalClear (V.1.3.6)
Data scaling softwareCrystalClear (V.1.3.6)
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.6802.020
High resolution limit [Å]1.9501.950
Rmerge0.1200.440
Number of reflections25613
<I/σ(I)>72.3
Completeness [%]98.597.4
Redundancy5.54.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.50.1 M MES PH 6.5, 1.8M (NH4)2SO4, 5% PEG400

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