7DCT

Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (24 bp)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2018-01-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	85.559, 94.710, 142.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.489 - 2.360
R-factor	0.1882
Rwork	0.186
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hdg
RMSD bond length	0.007
RMSD bond angle	1.108
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.560	2.490
High resolution limit [Å]	2.360	2.360
Rpim	0.028	0.383
Number of reflections	43397
<I/σ(I)>	14.5	2
Completeness [%]	99.9	100
Redundancy	13.1	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2% v/v Tacsimate pH 6.0, 0.1 M Bis-Tris pH 6.5 and 21% (w/v) PEG 3350