9OBF

Crystal structure of HLA*02:01 with the 11-mer TP53 peptide GLAPPQHLIRV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-20
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.97857
Spacegroup name	P 63 2 2
Unit cell lengths	161.130, 161.130, 330.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.970 - 3.250
R-factor	0.1949
Rwork	0.194
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.501
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	3.310
High resolution limit [Å]	3.250	3.250
Rmerge	0.197	1.142
Rmeas	0.206
Rpim	0.058	0.369
Number of reflections	40748	1974
<I/σ(I)>	9.5	1.6
Completeness [%]	99.8	99.9
Redundancy	12.4	10
CC(1/2)	0.989	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	Screen MCSG4 - condition C9: 0.1 M Bis-Tris Propane:HCl and 60% (v/v) Microlytic mix; (Microlytic mix: 1.8305 M Malonic Acid, 0.25 M Ammonium Citrate Tribasic, 0.12 M Succinic Acid, 0.3 M DL-Malic Acid, 0.4 M Sodium Acetate Trihydrate, 0.5 M Sodium Formate, 0.16 M Ammonium Tartrate Dibasic)