2J7X

STRUCTURE OF ESTRADIOL-BOUND ESTROGEN RECEPTOR BETA LBD IN COMPLEX WITH LXXLL MOTIF FROM NCOA5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-01
Detector	ADSC CCD
Spacegroup name	P 41 2 2
Unit cell lengths	62.550, 62.550, 171.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.100
R-factor	0.192
Rwork	0.190
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qkn
RMSD bond length	0.014
RMSD bond angle	1.391
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.060	0.390
Number of reflections	20776
<I/σ(I)>	11.7	5
Completeness [%]	99.9	100
Redundancy	15	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		5-7% PEG 8K, 5-7% PEG 1K, 0.13M LITHIUM SULPHATE, 0.1M TRIS PH 8.0 .