8JJG

Crystal structure of QW-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	2020-07-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	40.428, 64.519, 44.869
Unit cell angles	90.00, 98.51, 90.00

Refinement procedure

Resolution	36.560 - 1.450
R-factor	0.1708
Rwork	0.170
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.879
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	1.500
High resolution limit [Å]	1.450	1.450
Number of reflections	39785	3648
<I/σ(I)>	16.71
Completeness [%]	98.5
Redundancy	4.6
CC(1/2)	0.992	0.838

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