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6OOT

HIV-1 Protease NL4-3 L89V, L90M Mutant in complex with darunavir

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-D
Synchrotron siteAPS
Beamline23-ID-D
Temperature [K]100
Detector technologyPIXEL
Collection date2018-06-24
DetectorDECTRIS PILATUS3 6M
Wavelength(s)1.0332
Spacegroup nameP 61
Unit cell lengths62.203, 62.203, 82.899
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution45.170 - 1.822
R-factor0.1969
Rwork0.192
R-free0.23460
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6dgx
RMSD bond length0.002
RMSD bond angle0.603
Data scaling softwareHKL-2000 (v717)
Phasing softwarePHASER
Refinement softwarePHENIX (1.12-2829)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.938
High resolution limit [Å]1.8201.824
Number of reflections159012491
<I/σ(I)>33.6
Completeness [%]97.4
Redundancy16.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29324% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5

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