4J26

Estrogen Receptor in complex with proline-flanked LXXLL peptides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-06-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 32
Unit cell lengths	62.630, 62.630, 125.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.600 - 2.300
R-factor	0.2051
Rwork	0.203
R-free	0.24197
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oll
RMSD bond length	0.009
RMSD bond angle	1.247
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.600	2.600
High resolution limit [Å]	2.300	2.300
Rmerge	0.167	0.273
Number of reflections	24203
<I/σ(I)>	14.93	5.24
Completeness [%]	98.8	99.4
Redundancy	2.35	1.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	277	10%-20% PEG6000, 0.6M-2M LiCl, 100mM Citric Acid, pH 5.0, VAPOR DIFFUSION, temperature 277K