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3OU3

MDR769 HIV-1 protease complexed with PR/RT hepta-peptide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-D
Synchrotron siteAPS
Beamline21-ID-D
Temperature [K]173
Detector technologyCCD
Collection date2008-08-09
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)1.0332
Spacegroup nameP 41
Unit cell lengths45.621, 45.621, 102.101
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution41.670 - 1.700
R-factor0.19495
Rwork0.193
R-free0.22634
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.013
RMSD bond angle1.439
Data reduction softwareCrystalClear
Data scaling softwareCrystalClear
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]46.67034.0201.760
High resolution limit [Å]1.7003.6601.700
Number of reflections22519
Completeness [%]98.398.197.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.82980.8M NaCl 01 M MES , pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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