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3ZN2

protein engineering of halohydrin dehalogenase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyCCD
Collection date2008-05-15
DetectorMARMOSAIC 225 mm CCD
Spacegroup nameP 43 21 2
Unit cell lengths103.330, 103.330, 118.430
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.960 - 1.800
R-factor0.2149
Rwork0.212
R-free0.26319
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1px0
RMSD bond length0.020
RMSD bond angle1.954
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0001.900
High resolution limit [Å]1.8001.800
Rmerge0.1501.060
Number of reflections58148
<I/σ(I)>10.651.59
Completeness [%]97.081.1
Redundancy8.86.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1

227111

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