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1RL8

Crystal structure of the complex of resistant strain of hiv-1 protease(v82a mutant) with ritonavir

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsEMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron siteEMBL/DESY, HAMBURG
BeamlineX13
Temperature [K]100
Detector technologyCCD
Collection date2003-02-11
DetectorMARRESEARCH
Wavelength(s)0.804
Spacegroup nameP 61
Unit cell lengths61.414, 61.414, 80.816
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution28.710 - 2.000
R-factor0.226
Rwork0.226
R-free0.26900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1nh0
RMSD bond length0.014
RMSD bond angle1.900
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]28.7102.070
High resolution limit [Å]2.0002.000
Number of reflections11680
<I/σ(I)>284.5
Completeness [%]99.596.3
Redundancy20.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.530050mM MES pH 6.5, 1.8M Ammonium Sulphate, 30% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 300K

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