7DCS

Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (23 bp)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-11-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97778
Spacegroup name	P 21 21 21
Unit cell lengths	86.720, 93.720, 142.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.876 - 2.400
R-factor	0.1966
Rwork	0.195
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hdg
RMSD bond length	0.006
RMSD bond angle	0.971
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]	86.720	2.530
High resolution limit [Å]	2.400	2.400
Rpim	0.030	0.317
Number of reflections	41724
<I/σ(I)>	14.5	2.2
Completeness [%]	99.7
Redundancy	12.1

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 6.4, 21% (w/v) PEG 3350