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4IAR

Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-D
Synchrotron siteAPS
Beamline23-ID-D
Temperature [K]100
Detector technologyCCD
Collection date2012-08-01
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)1.0330
Spacegroup nameC 1 2 1
Unit cell lengths195.290, 45.500, 74.280
Unit cell angles90.00, 95.45, 90.00
Refinement procedure
Resolution25.620 - 2.700
R-factor0.2249
Rwork0.223
R-free0.26120
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4eiy
RMSD bond length0.010
RMSD bond angle1.020
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.900
High resolution limit [Å]2.7002.700
Rmerge0.1600.620
Number of reflections16979
<I/σ(I)>18.41.7
Completeness [%]92.064.6
Redundancy9.64.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Lipid Cubic Phase (LCP)7.5293100 mM Tris pH 7.5, 30% (v/v) PEG400, 400 mM lithium chloride , Lipid Cubic Phase (LCP), temperature 293K
1Lipid Cubic Phase (LCP)7.5293100 mM Tris pH 7.5, 30% (v/v) PEG400, 400 mM lithium chloride , Lipid Cubic Phase (LCP), temperature 293K

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數據於2024-09-18公開中

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