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4E43

HIV protease (PR) dimer with acetate in exo site and peptide in active site

Replaces:  3KF1
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyCCD
Collection date2008-03-08
DetectorADSC QUANTUM 315r
Wavelength(s)0.97610
Spacegroup nameP 21 21 2
Unit cell lengths58.290, 86.259, 46.299
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.300 - 1.540
R-factor0.1949
Rwork0.193
R-free0.22470
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.124
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.2.5)
Phasing softwareMOLREP
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]48.29748.2971.620
High resolution limit [Å]1.5404.8701.540
Rmerge0.0630.0230.791
Total number of observations44857120
Number of reflections29415
<I/σ(I)>14.726.41
Completeness [%]83.798.242
Redundancy3.93.73.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION72771.0 M KSCN, 0.1 M BIS-TRIS-HCL, 10% DMSO, pH 7.0, VAPOR DIFFUSION, temperature 277K

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