1GWR

HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-OESTRADIOL AND TIF2 NRBOX3 PEPTIDE

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	1998-12-15
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	56.310, 90.540, 59.230
Unit cell angles	90.00, 109.83, 90.00

Refinement procedure

Resolution	25.000 - 2.400
Rwork	0.225
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ere
RMSD bond length	0.012 *
RMSD bond angle	0.038 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.097	0.331
Total number of observations	134819 *
Number of reflections	20680	915 *
<I/σ(I)>	8	2
Completeness [%]	95.0	82.9
Redundancy	3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.8	18 *	2-2.5% (W/V) PEG 20000 0.1M HEPES PH7.8, pH 7.80