8Z6N

The dimerization structure of CHASE4 domain of PA2072 (alpha 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	2019-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	I 21 21 21
Unit cell lengths	64.552, 75.945, 103.658
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.590 - 2.390
R-factor	0.1846
Rwork	0.183
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.476
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]	50.000	2.440
High resolution limit [Å]	2.385	2.390
Rmeas	0.067
Number of reflections	10273	459
<I/σ(I)>	22.2
Completeness [%]	98.4
Redundancy	4.3
CC(1/2)		0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M Sodium citrate tribasic dihydrate, 20% w/v Polyethylene glycol 3,350