9EIQ

Crystal structure of HLA-B*07:02 with the 9-mer TP53 peptide RPILTIITL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-18
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	174.901, 64.510, 83.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.850 - 2.210
R-factor	0.2527
Rwork	0.251
R-free	0.29270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.481
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.155	0.719
Rmeas	0.167	0.777
Rpim	0.062	0.293
Number of reflections	48361	2410
<I/σ(I)>	10.7	1.76
Completeness [%]	100.0	100
Redundancy	7.2	7
CC(1/2)	0.992	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	0.2M Ammonium Sulfate, 0.1M Tris:HCl, 25% (w/v) PEG 3350