36NB

Crystal structure of the NKX2-1 homeodomain bound to a palindromic DNA recognition sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	P 1 21 1
Unit cell lengths	37.361, 118.431, 57.360
Unit cell angles	90.00, 98.75, 90.00

Refinement procedure

Resolution	29.610 - 3.260
R-factor	0.2254
Rwork	0.222
R-free	0.29740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.238
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (2.1_6048)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.320
High resolution limit [Å]	3.260	3.260
Number of reflections	7628	394
<I/σ(I)>	21.6
Completeness [%]	98.5
Redundancy	3.4
CC(1/2)	0.996	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	50 mM MES pH 5.6, 20% (w/v) PEG 8000, 0.1 M (NH4)2SO4 and 0.01 M MgCl2