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3GXY

Crystal structure of cyanovirin-n complexed to a synthetic hexamannoside

Replaces:  1M5J
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X9B
Synchrotron siteNSLS
BeamlineX9B
Temperature [K]100
Detector technologyCCD
Collection date2001-09-13
DetectorADSC QUANTUM 4
Wavelength(s)1.0
Spacegroup nameP 41 21 2
Unit cell lengths61.352, 61.352, 147.568
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.920 - 2.400
R-factor0.21102
Rwork0.208
R-free0.27100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3ezm
RMSD bond length0.017
RMSD bond angle2.196
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.5.0066)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.490
High resolution limit [Å]2.4002.400
Rmerge0.056
Number of reflections11728
Completeness [%]99.899.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP10.32980.1M CHES, 1M NaCitrate, pH 10.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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