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EIAV PROTEASE COMPLEXED WITH THE INHIBITOR HBY-793

Experimental procedure
Temperature [K]273
Detector technologyIMAGE PLATE
Collection date1995-04-04
DetectorMARRESEARCH
Spacegroup nameC 1 2 1
Unit cell lengths42.930, 45.710, 56.770
Unit cell angles90.00, 110.50, 90.00
Refinement procedure
Resolution20.000 - 1.800
R-factor0.136

*

Rwork0.136
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)HIV-1 PROTEASE
RMSD bond length0.014
RMSD bond angle0.046
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR
Refinement softwareX-PLOR
Data quality characteristics
 Overall
Low resolution limit [Å]20.000
High resolution limit [Å]1.800
Rmerge0.067
Total number of observations59519

*

Number of reflections8443
Completeness [%]88.5
Redundancy6.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

4.6pH 4.6
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropEIAV PR3.6 (mg/ml)
21dropurea6 (M)
31droppotassium phosphate20 (mM)
41reservoirPEG400020 (%)
51reservoirsodium acetate25 (mM)
61reservoirammonium sulfate0.4 (M)
71reservoirsodium azide0.1 (%)

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