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3K6R

CRYSTAL STRUCTURE OF putative transferase PH0793 FROM PYROCOCCUS HORIKOSHII

Replaces:  2FRN
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2005-10-17
DetectorADSC QUANTUM 315
Wavelength(s)0.97940
Spacegroup nameP 1 21 1
Unit cell lengths51.308, 54.231, 58.613
Unit cell angles90.00, 100.02, 90.00
Refinement procedure
Resolution50.000 - 2.100
R-factor0.21339
Rwork0.211
R-free0.25583
Structure solution methodSAD
RMSD bond length0.015
RMSD bond angle1.407
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareHKL-3000
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.180
High resolution limit [Å]2.1002.100
Rmerge0.0720.192
Number of reflections18186
<I/σ(I)>40.96.56
Completeness [%]97.388
Redundancy3.63.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP629020% PEG 10K, 0.1M MES PH 6, VAPOR DIFFUSION, SITTING DROP, temperature 290K

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