5GS4

Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	293
Detector technology	CCD
Collection date	2014-10-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 2 21 21
Unit cell lengths	57.272, 61.246, 69.385
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.298 - 2.400
R-factor	0.2309
Rwork	0.225
R-free	0.28150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.712
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	24.300
High resolution limit [Å]	2.400
Number of reflections	9885
<I/σ(I)>	8.2
Completeness [%]	98.9
Redundancy	2.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1 M Sodium citrate tribasic dihydrate, 1.0 M Ammonium phosphate monobasic