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3GHE

Crystal structure of anti-HIV-1 Fab 537-10D in complex with V3 peptide MN

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X4C
Synchrotron siteNSLS
BeamlineX4C
Temperature [K]100
Detector technologyCCD
Collection date2008-02-29
DetectorMAR CCD 165 mm
Spacegroup nameP 1 21 1
Unit cell lengths46.363, 71.322, 77.124
Unit cell angles90.00, 104.25, 90.00
Refinement procedure
Resolution29.950 - 2.400
R-factor0.187
Rwork0.187
R-free0.24100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)CRYSTAL STRUCTURE OF 2557 FAB WITH V3 PEPTIDE NY5
RMSD bond length0.006
RMSD bond angle1.370
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]29.9502.060
High resolution limit [Å]1.9901.990
Rmerge0.0850.494
Number of reflections23276
<I/σ(I)>2
Completeness [%]73.18
Redundancy5.41.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.5296.1520% PEG 4000, 5% Isoproponal, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296.15K

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