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9JPE

the DISMED2 domain of RetS

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL18U1
Synchrotron siteSSRF
BeamlineBL18U1
Temperature [K]100
Detector technologyPIXEL
Collection date2024-03-14
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.97946
Spacegroup nameP 43 21 2
Unit cell lengths80.582, 80.582, 51.349
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.300 - 3.500
R-factor0.2762
Rwork0.271
R-free0.32580
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3jyb
RMSD bond length0.006
RMSD bond angle0.948
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (dev_5246)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0004.400
High resolution limit [Å]3.5003.500
Number of reflections3959119940
<I/σ(I)>2.681.11
Completeness [%]97.197.8
Redundancy7.6
CC(1/2)0.9170.640
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP289.150.1M BIs-Tris Propane pH 8.5, 0.2 M NaI, 20% peg3350

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