3M9E

Thyroid hormone beta DNA binding domain homodimer with inverted palindrome TRE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Detector technology	CCD
Collection date	2009-02-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	73.738, 83.468, 75.743
Unit cell angles	90.00, 98.28, 90.00

Refinement procedure

Resolution	42.182 - 2.406
R-factor	0.1819
Rwork	0.179
R-free	0.23080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nll
RMSD bond length	0.010
RMSD bond angle	1.308
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.200	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	34766
<I/σ(I)>	27.1
Completeness [%]	98.1	92.1
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	20% PEG 3350, 0.2M ammonium sulfate, 0.05M Bis-Tris, 5mM MgCl2, 2uM ZnCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K