8Z84

The dimerization structure of CHASE4 domain of PA2072(beta form).

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	2021-06-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	I 21 21 21
Unit cell lengths	64.382, 74.280, 101.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.170
R-factor	0.225
Rwork	0.223
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.045
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.210
High resolution limit [Å]	2.170	2.170
Number of reflections	12066	587
<I/σ(I)>	6.3	2
Completeness [%]	91.2
Redundancy	5.2
CC(1/2)	0.990	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M Ammonium acetate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350,10 mM MgCl2, 2 mM adenosine triphosphate