8JJW

Crystal structure of QG-hNTAQ1 C28S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	44.084, 64.688, 80.262
Unit cell angles	90.00, 98.82, 90.00

Refinement procedure

Resolution	43.560 - 1.400
R-factor	0.1744
Rwork	0.174
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.805
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	84546	4219
<I/σ(I)>	16.58
Completeness [%]	96.8
Redundancy	6.1
CC(1/2)	0.998	0.869

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