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5MR4

Ligand-receptor complex.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyPIXEL
Collection date2013-09-11
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.985
Spacegroup nameP 1 21 1
Unit cell lengths77.810, 125.811, 82.722
Unit cell angles90.00, 101.93, 90.00
Refinement procedure
Resolution49.670 - 2.400
R-factor0.19633
Rwork0.195
R-free0.22002
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5mr5 5mr9
RMSD bond length0.013
RMSD bond angle1.387
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.8002.530
High resolution limit [Å]2.4002.400
Rmerge0.0980.750
Number of reflections60705
<I/σ(I)>9.4
Completeness [%]99.7
Redundancy3.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7.52938% Tacsimate, 8% PEG MME 5000 and 0.1 M HEPES pH 7.5.

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