8JJX

Crystal structure of QS-hNTAQ1 C28S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	40.531, 64.539, 44.875
Unit cell angles	90.00, 98.22, 90.00

Refinement procedure

Resolution	40.110 - 1.700
R-factor	0.1694
Rwork	0.168
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.920
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.770
High resolution limit [Å]	1.700	1.700
Number of reflections	24745	2309
<I/σ(I)>	18.22
Completeness [%]	99.2
Redundancy	4.9
CC(1/2)	0.990	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, and 25 % (w/v) Polyethylene glycol (PEG) 3350