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4RPC

Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-F
Synchrotron siteAPS
Beamline21-ID-F
Temperature [K]100
Detector technologyCCD
Collection date2014-07-21
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.97872
Spacegroup nameP 1 21 1
Unit cell lengths61.661, 45.473, 82.787
Unit cell angles90.00, 90.56, 90.00
Refinement procedure
Resolution30.000 - 2.100
R-factor0.18011
Rwork0.176
R-free0.24684
Structure solution methodSAD
RMSD bond length0.015
RMSD bond angle1.760
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwareREFMAC (5.8.0069)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.140
High resolution limit [Å]2.1002.100
Rmerge0.1200.600
Number of reflections27123
<I/σ(I)>24.92.7
Completeness [%]99.593.4
Redundancy7.36.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52930.2 M Ammonium Sulfate, 0.1 M Bis-Tris, 25 % PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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