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4MEB

Crystal structure of aCif-D158S

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X6A
Synchrotron siteNSLS
BeamlineX6A
Temperature [K]100
Detector technologyCCD
Collection date2012-02-25
DetectorADSC QUANTUM 270
Wavelength(s)1.0000
Spacegroup nameP 1 21 1
Unit cell lengths86.109, 42.511, 86.907
Unit cell angles90.00, 98.38, 90.00
Refinement procedure
Resolution40.850 - 2.000
R-factor0.1568
Rwork0.155
R-free0.19690
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4mea
RMSD bond length0.007
RMSD bond angle1.027
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHENIX
Refinement softwarePHENIX ((phenix.refine: 1.7.3_928))
Data quality characteristics
 Overall
Low resolution limit [Å]40.850
High resolution limit [Å]2.000
Number of reflections40969
Completeness [%]96.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4291250 mM monopotassium phosphate, 100 mM sodium citrate, 20% PEG 4000, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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