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3MEC

HIV-1 Reverse Transcriptase in Complex with TMC125

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.1
Synchrotron siteALS
Beamline5.0.1
Temperature [K]100
Detector technologyCCD
Collection date2007-10-25
DetectorADSC QUANTUM 210
Wavelength(s)0.98
Spacegroup nameC 2 2 21
Unit cell lengths118.947, 154.122, 154.769
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.910 - 2.300
R-factor0.228
Rwork0.226
R-free0.27000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1sv5
RMSD bond length0.008
RMSD bond angle1.100
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareAMoRE
Refinement softwareCNX (2005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.340
High resolution limit [Å]2.3002.300
Rmerge0.0580.443
Number of reflections62068
<I/σ(I)>17.13.6
Completeness [%]99.299.5
Redundancy4.54.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52931.4M ammonium sulfate, 100mM cacodylate, 30mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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