8KGA

SlNDPS1-AtcPT4 Chimera

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-12-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	58.110, 90.107, 126.479
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.883 - 2.182
Rwork	0.203
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.275
Data reduction software	DIALS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.310
High resolution limit [Å]	2.180	2.180
Rmeas	0.131	3.060
Number of reflections	465239	10711
<I/σ(I)>	9.74	0.72
Completeness [%]	99.9	99.5
Redundancy	7	7
CC(1/2)	0.998	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	Sodium malonate, PEG 3350