8ZYS

Crystal structure of HSF5 DNA-binding domain in complex with 3-site HSE DNA (25 bp)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 1
Unit cell lengths	49.960, 50.000, 126.880
Unit cell angles	78.95, 88.54, 73.07

Refinement procedure

Resolution	41.510 - 2.000
R-factor	0.2144
Rwork	0.213
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.181
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	XDS (Jan 10, 2022)
Phasing software	PHENIX (1.19.1_4122)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	75257	5547
<I/σ(I)>	10.8
Completeness [%]	96.7
Redundancy	3.52
CC(1/2)	0.996	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES pH 7.5, 10% v/v glycol, 5% PEG8000