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5OIA

Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyPIXEL
Collection date2013-03-23
DetectorDECTRIS PILATUS 2M
Wavelength(s)1.0
Spacegroup nameP 31 2 1
Unit cell lengths72.599, 72.599, 66.250
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution62.870 - 2.200
R-factor0.18326
Rwork0.181
R-free0.22514
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4lh4
RMSD bond length0.020
RMSD bond angle2.077
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 Overall
Low resolution limit [Å]62.870
High resolution limit [Å]1.900
Number of reflections29016
<I/σ(I)>14
Completeness [%]93.9
Redundancy3.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5297Ammonium sulfate, cacodylate

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