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4Q9J

P-glycoprotein cocrystallised with QZ-Val

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2013-10-06
DetectorRAYONIX MX-300
Wavelength(s)0.97942
Spacegroup nameP 21 21 21
Unit cell lengths88.740, 138.660, 189.990
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution78.368 - 3.600
R-factor0.2621
Rwork0.261
R-free0.28240
RMSD bond length0.004
RMSD bond angle0.801
Data scaling softwareSCALA (3.3.20)
Refinement softwarePHENIX (1.8.2_1309)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]88.74088.7403.790
High resolution limit [Å]3.60011.3803.600
Rmerge0.0470.649
Rmeas0.089
Rpim0.0410.0260.349
Total number of observations120622299317016
Number of reflections26969
<I/σ(I)>8.421.12
Completeness [%]97.480.898.5
Redundancy4.53.94.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7277.15PEG 600, Li2O4S, HEPES, EDTA, pH 7, vapor diffusion, temperature 277.15K

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