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8AV8

Small molecular stabilizer for ERalpha and 14-3-3 (1075300)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID30B
Synchrotron siteESRF
BeamlineID30B
Temperature [K]100
Detector technologyPIXEL
Collection date2021-02-05
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.968626
Spacegroup nameC 2 2 21
Unit cell lengths81.222, 111.865, 59.818
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.280 - 1.800
R-factor0.21213
Rwork0.210
R-free0.24787
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4jc3
RMSD bond length0.006
RMSD bond angle1.055
Data reduction softwareDIALS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]65.7201.840
High resolution limit [Å]1.8001.800
Number of reflections256791514
<I/σ(I)>10.7
Completeness [%]100.0
Redundancy12.3
CC(1/2)0.9990.648
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.095 M HEPES (pH 7.7), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol

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