8XAT

Crystal structure of AtARR1(RD-DBD)

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	2019-10-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	I 2 2 2
Unit cell lengths	73.108, 136.158, 141.057
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.554 - 2.205
R-factor	0.193
Rwork	0.191
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8xas
RMSD bond length	0.019
RMSD bond angle	1.572
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]	36.554	2.284
High resolution limit [Å]	2.205	2.205
Rmerge	0.112	0.424
Number of reflections	35713	3409
<I/σ(I)>	21
Completeness [%]	100.0
Redundancy	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.0 M ammonium sulfate, 2% (v/v) Polyethylene Glycol (PEG) 400, 0.1 M HEPES, pH 7.5