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3LL1

Monomeric Griffithsin with a Single Gly-Ser Insertion and Mutations to Remove Residual Self-Association

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2009-04-03
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)1.0000
Spacegroup nameP 31 2 1
Unit cell lengths55.400, 55.400, 61.800
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution30.000 - 0.970
R-factor0.152
Rwork0.152
R-free0.16500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3lky
RMSD bond length0.018
RMSD bond angle2.304
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER (2.1.3)
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.000
High resolution limit [Å]0.9700.970
Rmerge0.0820.780
Number of reflections65427
<I/σ(I)>13.32
Completeness [%]99.999.4
Redundancy7.15.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP3.52980.1M citric acid, 3M NaCl, pH 3.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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