8VV1

Estrogen receptor alpha ligand binding domain in complex with palazestrant

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-15
Detector	MAR CCD 300 mm
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	102.126, 57.268, 87.147
Unit cell angles	90.00, 103.01, 90.00

Refinement procedure

Resolution	34.217 - 2.196
R-factor	0.2006
Rwork	0.199
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.715
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.196	2.196
Rpim	0.083	0.600
Number of reflections	24981	1225
<I/σ(I)>	0.082
Completeness [%]	98.8
Redundancy	3.7
CC(1/2)	0.996	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 8,000, MgCl2, pH 7.0