9ZCL

N17.3.2 NRASQ61K HLA A1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920187
Spacegroup name	P 43 21 2
Unit cell lengths	160.392, 160.392, 89.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 2.300
R-factor	0.2087
Rwork	0.206
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.912
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.830	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	52107	5121
<I/σ(I)>	11.26
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.998	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	2.0 M ammonium sulfate, 0.1 M MES (pH 6.5), and 5% (w/v) polyethylene glycol (PEG) 400