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4MM9

Crystal structure of LeuBAT (delta13 mutant) in complex with fluvoxamine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-E
Synchrotron siteAPS
Beamline24-ID-E
Temperature [K]100
Detector technologyCCD
Collection date2013-02-14
DetectorADSC QUANTUM 315
Wavelength(s)0.979
Spacegroup nameC 1 2 1
Unit cell lengths90.810, 88.070, 81.500
Unit cell angles90.00, 94.76, 90.00
Refinement procedure
Resolution45.248 - 2.900
R-factor0.2324
Rwork0.230
R-free0.27180
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle0.781
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwarePHENIX ((phenix.refine: 1.8.2_1309))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]51.3003.080
High resolution limit [Å]2.9002.900
Rmerge0.1100.550
Number of reflections14298
<I/σ(I)>5.21.4
Completeness [%]99.9100
Redundancy3.94
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7293100 mM NaPi, pH7.0, 100 mM NaCl, 32-34% PEG300, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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