8ERX

Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	56.355, 79.324, 57.645
Unit cell angles	90.00, 116.10, 90.00

Refinement procedure

Resolution	14.930 - 2.070
R-factor	0.1941
Rwork	0.192
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hhn 1s9w 4qrt 5vge 1q94 2bnr 6rpb
Data reduction software	MOSFLM
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000	15.000	2.030
High resolution limit [Å]	2.000	5.350	2.000
Rmerge	0.119	0.059	0.416
Rmeas	0.141	0.070	0.492
Rpim	0.075	0.037	0.259
Number of reflections	30209	1549	1508
<I/σ(I)>	8.7
Completeness [%]	99.6	99.2	99.7
Redundancy	3.6	3.6	3.5
CC(1/2)		0.994	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294.15	0.02 Sodium/Potassium phosphate, 0.1 M BIS-TRIS propane pH 8.5, 18-22% PEG 3350