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8VZ1

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-409

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2020-02-12
DetectorRAYONIX MX300-HS
Wavelength(s)1.0
Spacegroup nameP 1
Unit cell lengths53.529, 58.971, 93.745
Unit cell angles86.51, 75.05, 63.02
Refinement procedure
Resolution35.390 - 1.820
R-factor0.2273
Rwork0.225
R-free0.27450
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.017
RMSD bond angle1.825
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.18.2_3874)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]37.4771.995
High resolution limit [Å]1.8201.824
Number of reflections591242957
<I/σ(I)>6.3
Completeness [%]84.3
Redundancy7.7
CC(1/2)0.9940.641
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION29820-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl

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