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5FET

Crystal Structure of PVX_084705 in presence of Compound 2

Replaces:  5F0DReplaces:  4OXJ
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2013-10-20
DetectorADSC QUANTUM 315
Wavelength(s)0.97924
Spacegroup nameC 1 2 1
Unit cell lengths190.520, 117.250, 67.420
Unit cell angles90.00, 94.34, 90.00
Refinement procedure
Resolution44.180 - 3.070
R-factor0.229
Rwork0.228
R-free0.24680
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle0.800
Data reduction softwareHKL-3000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.0003.180
High resolution limit [Å]3.0703.070
Rmerge0.847
Number of reflections27515
<I/σ(I)>15.3
Completeness [%]99.499.2
Redundancy4.24.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP729310% PEG 5000 MME, 5% TACSIMATE, 0.1 M HEPES, 15 MM SPERMIDINE, 25% GLYCEROL, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K, TEMPERATURE 293.0K

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