8KGB

SlNDPS1-AtcPT4 Chimera complexed with GSPP, Mg2+, and IPP

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 1 21 1
Unit cell lengths	59.540, 126.710, 72.690
Unit cell angles	90.00, 90.25, 90.00

Refinement procedure

Resolution	47.810 - 2.320
R-factor	0.1905
Rwork	0.188
R-free	0.23518
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.347
Data reduction software	DIALS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.460
High resolution limit [Å]	2.320	2.320
Rmeas	0.109	1.390
Number of reflections	275956	44464
<I/σ(I)>	11.17	1.22
Completeness [%]	99.9	100
Redundancy	5.9	5.9
CC(1/2)	0.998	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG3350, malonate acid