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4FE1

Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.2
Synchrotron siteALS
Beamline8.2.2
Temperature [K]100
Detector technologyCCD
Collection date2010-07-16
DetectorADSC QUANTUM 315r
Wavelength(s)1.0
Spacegroup nameP 63
Unit cell lengths281.000, 281.000, 165.200
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution97.971 - 4.923
R-factor0.2762
Rwork0.274
R-free0.31450
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1jb0
RMSD bond length0.010
RMSD bond angle1.695
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX ((phenix.refine: 1.8_1058))
Data quality characteristics
 Overall
Low resolution limit [Å]247.463
High resolution limit [Å]4.900
Number of reflections33699
Completeness [%]97.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICRODIALYSIS6.4277beta-dodecylmaltoside, magnesium sulfate, pH 6.4, MICRODIALYSIS, temperature 277K

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