9MIN

Structure of a designed minibinder to NYESO1-A*02:01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-07
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	95.452, 98.536, 155.743
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 2.050
R-factor	0.255
Rwork	0.255
R-free	0.26730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.521
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]	49.270	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.325	3.471
Rmeas	0.333	3.545
Rpim	0.069	0.717
Number of reflections	92563	9127
<I/σ(I)>	8.49	1.45
Completeness [%]	99.2	100
Redundancy	23.3	24
CC(1/2)	0.999	0.349

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2 M ammonium acetate 0.1 M bis-tris pH 5.5 25% PEG 3350