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3FPI

Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase IspF complexed with Cytidine Triphosphate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-BM
Synchrotron siteAPS
Beamline19-BM
Temperature [K]100
Detector technologyCCD
Collection date2008-11-02
DetectorSBC-3
Wavelength(s)0.9786
Spacegroup nameI 21 3
Unit cell lengths145.639, 145.639, 145.639
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.330 - 2.800
R-factor0.172
Rwork0.170
R-free0.19900
Structure solution methodSAD/MR
Starting model (for MR)3f6m
RMSD bond length0.017
RMSD bond angle1.745
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareHKL-3000
Refinement softwareREFMAC (5.5.0053)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.3302.850
High resolution limit [Å]2.8002.800
Rmerge0.0950.968
Number of reflections12751
<I/σ(I)>2.1
Completeness [%]99.9100
Redundancy10.410.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72911.0M Ammonium sulfate, 0.1M HEPES pH 7.0, 0.5 % w/v PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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