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4W7V

Crystal structure of XacCel5A in complex with cellobiose

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsLNLS BEAMLINE W01B-MX2
Synchrotron siteLNLS
BeamlineW01B-MX2
Temperature [K]100
Detector technologyCCD
Collection date2013-08-15
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.459
Spacegroup nameP 21 21 2
Unit cell lengths79.186, 81.756, 48.168
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.170 - 1.430
R-factor0.1339
Rwork0.132
R-free0.17300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1gzj
RMSD bond length0.008
RMSD bond angle1.302
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0073)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]48.1701.520
High resolution limit [Å]1.4304.2901.430
Rmerge0.0620.0280.789
Rmeas0.0710.0320.934
Total number of observations452924
Number of reflections109499412816875
<I/σ(I)>12.1543.851.66
Completeness [%]98.999.294.2
Redundancy4.14
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52910.1M sodium cacodylate, 0.2 M sodium acetate, 28% PEG8000, 5% glycerol

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