8JJH

Crystal structure of QH-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	2021-07-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	40.617, 64.494, 45.042
Unit cell angles	90.00, 97.67, 90.00

Refinement procedure

Resolution	40.250 - 1.610
R-factor	0.1624
Rwork	0.161
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.888
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.670
High resolution limit [Å]	1.610	1.610
Number of reflections	29791	2847
<I/σ(I)>	25.97
Completeness [%]	99.4
Redundancy	5.2
CC(1/2)	0.998	0.981

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