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4FFD

Crystal structure of engineered protein. northeast structural genomics consortium target or48

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X4A
Synchrotron siteNSLS
BeamlineX4A
Temperature [K]100
Detector technologyCCD
Collection date2012-04-10
DetectorADSC QUANTUM 4
Wavelength(s)0.979
Spacegroup nameP 1 21 1
Unit cell lengths34.334, 71.367, 52.926
Unit cell angles90.00, 104.83, 90.00
Refinement procedure
Resolution31.810 - 2.310
R-factor0.238
Rwork0.238
R-free0.27900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3u26
RMSD bond length0.008
RMSD bond angle1.200
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareAMoRE
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.380
High resolution limit [Å]2.3002.300
Rmerge0.0820.179
Number of reflections10847
<I/σ(I)>16.1
Completeness [%]99.1100
Redundancy7.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Microbatch under oil7.50.1M PBS BUFFER PH 7.5 25% PEG 3350,0.1M Cyclohexanone, Microbatch under oil

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