8CPG

Structure of the AT-Hook 1 peptide from the mammalian HMGA protein in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97925
Spacegroup name	P 32
Unit cell lengths	43.635, 43.635, 97.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.790 - 1.400
R-factor	0.12597
Rwork	0.124
R-free	0.15812
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.580
Data reduction software	autoPROC (1.0.5 (20200206))
Data scaling software	pointless (1.11.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.790	37.790	1.424
High resolution limit [Å]	1.400	3.808	1.400
Rmerge	0.067	0.052	0.579
Rmeas		0.055	0.619
Rpim	0.025	0.019	0.326
Number of reflections	40810	2043	2045
<I/σ(I)>	18.5		3.9
Completeness [%]	99.8	99.9
Redundancy	8.4	8.5
CC(1/2)	0.998	0.996	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	277.15	Crystallization buffer: 0.025mM NiCl2 10 mM MgCl2 2.5% MPD 25 mM NaCaco, pH 6 Final well concentration MPD about 38% Crystallization drops were setup at 285.15 K, using a well solution consisting of aqueous MPD at 17% (v/v) concentration. After three days, the temperature was lowererd to 281.15 K. After 3 days at 281.15K, the solution in the well solution was changed to 25% MPD in water. After 1 week, the temperature was changed to 277.15K. The well solution was interchanged to a MPD solution at 30%. and after 8 days it was replaced by a 38% (v/v) MPD solution.