6CHZ

Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	120
Detector technology	CCD
Collection date	2016-11-12
Detector	RAYONIX MX225-HS
Wavelength(s)	0.9787
Spacegroup name	P 65 2 2
Unit cell lengths	58.608, 58.608, 276.303
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.760 - 1.680
R-factor	0.21475
Rwork	0.212
R-free	0.26187
RMSD bond length	0.020
RMSD bond angle	2.124
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.760	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.109	0.866
Number of reflections	33396
<I/σ(I)>	16.7
Completeness [%]	99.6
Redundancy	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	6-12% PEG 3350, 50-150 mM MgCl2, 0.1 M imidazole pH 7.1