9O5S

minibinder-antigen complex BXMart1-3-MART1-HLA*A02

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2025-01-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 1
Unit cell lengths	87.955, 95.863, 99.133
Unit cell angles	89.72, 69.93, 73.90

Refinement procedure

Resolution	48.120 - 2.270
R-factor	0.2073
Rwork	0.207
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.494
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.150	2.330
High resolution limit [Å]	2.270	2.270
Rmerge	0.149
Number of reflections	136169	10407
<I/σ(I)>	5.32
Completeness [%]	90.8
Redundancy	3.7
CC(1/2)	0.994	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2M potassium thiocyanate, 20% w/v PEG 3350