6PFM

Crystal structure of GDC-0927 bound to estrogen receptor alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2015-03-18
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	H 3 2
Unit cell lengths	144.106, 144.106, 171.064
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.950 - 2.840
R-factor	0.2111
Rwork	0.209
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.357
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	7.710	2.900
High resolution limit [Å]	2.840	6.130	2.840
Rmerge	0.131	0.062	0.900
Rmeas	0.142	0.067	0.999
Rpim	0.055	0.025	0.427
Number of reflections	16277	837	798
<I/σ(I)>	6.3
Completeness [%]	100.0	100	99.9
Redundancy	6.6	7.2	5.2
CC(1/2)		0.999	0.458

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	25-35% PEG 3,350 0.1 M Bis-Tris (pH 6.1-6.5) 150-300 mM MgCl2