8TAB

RTA-PD00589

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 63 2 2
Unit cell lengths	169.146, 169.146, 55.913
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.830 - 2.260
R-factor	0.1874
Rwork	0.186
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.609
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.200	0.077	1.422
Rmeas		0.080	1.518
Rpim		0.022	0.515
Number of reflections	22196	1252	1030
<I/σ(I)>	4.3
Completeness [%]	99.2	99.6	92.6
Redundancy	10.3	12.5	7.9
CC(1/2)		0.997	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	200 mM Mg(NO3)2 and 20% PEG 3350