8XAS

Crystal structure of AtARR1-DBD in complex with a DNA fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	73.831, 79.112, 162.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.234 - 2.346
R-factor	0.1991
Rwork	0.197
R-free	0.24230
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.281
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.234	2.430
High resolution limit [Å]	2.346	2.346
Rmerge	0.107	1.800
Number of reflections	62499	2434
<I/σ(I)>	20
Completeness [%]	99.7
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6, 30% (w/v) PEG monomethyl ether 2000