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2HJM

Crystal structure of a singleton protein PF1176 from P. furiosus

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2006-03-02
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.9724
Spacegroup nameP 21 21 21
Unit cell lengths62.680, 64.240, 111.650
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 2.900
R-factor0.23
Rwork0.228
R-free0.27890
Structure solution methodSAD
RMSD bond length0.007
RMSD bond angle1.160
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSCA2STRUCTURE
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.800
High resolution limit [Å]2.7002.700
Rmerge0.0820.649
Number of reflections12787
<I/σ(I)>12.13.53
Completeness [%]99.998.9
Redundancy1411.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION5.2298100mM Na3 Citrate pH 5.2, 30% PEG400, VAPOR DIFFUSION, temperature 298K

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