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2QI0

Crystal structure of protease inhibitor, MIT-1-KK80 in complex with wild type HIV-1 protease

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]200
Detector technologyIMAGE PLATE
Collection date2006-02-23
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths50.975, 58.242, 61.701
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.370 - 2.100
R-factor0.17307
Rwork0.170
R-free0.23020
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1f7a
RMSD bond length0.008
RMSD bond angle1.267
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]2.100
Rmerge0.051
Number of reflections11126
<I/σ(I)>10.7
Completeness [%]99.0
Redundancy6.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.2298126 mM Sodium Phosphate, 63 mM sodium citrate, 24-29% ammonium sulphate , pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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