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8ALR

Small molecular stabilizer for ERalpha and 14-3-3 (1080272)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, DESY BEAMLINE P11
Synchrotron sitePETRA III, DESY
BeamlineP11
Temperature [K]100
Detector technologyPIXEL
Collection date2021-08-26
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.033
Spacegroup nameC 2 2 21
Unit cell lengths81.735, 112.169, 62.445
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.420 - 1.400
R-factor0.1487
Rwork0.148
R-free0.17062
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4jc3
RMSD bond length0.011
RMSD bond angle1.514
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.4201.420
High resolution limit [Å]1.4001.400
Number of reflections567402766
<I/σ(I)>25.6
Completeness [%]99.9
Redundancy13.3
CC(1/2)0.9990.966
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.095 M HEPES (pH 7.5), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol

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