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1NNW

hypothetical protein from Pyrococcus furiosus Pfu-1218608

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2002-10-19
DetectorMARRESEARCH
Wavelength(s)1.06
Spacegroup nameP 1
Unit cell lengths50.140, 50.842, 64.403
Unit cell angles83.70, 81.64, 81.77
Refinement procedure
Resolution20.000 - 1.900
R-factor0.21692
Rwork0.216
R-free0.23498
Structure solution methodMIRAS
RMSD bond length0.010
RMSD bond angle1.136
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.960
High resolution limit [Å]1.8901.890
Number of reflections46373
<I/σ(I)>213.6
Completeness [%]67.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1modified microbatch5.6291PEG 4000, isopropanol, sodium citrate, pH 5.6, modified microbatch, temperature 291K

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