7R7V

Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9

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	CCD
Collection date	2020-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	50.562, 81.964, 109.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.980 - 1.600
R-factor	0.1741
Rwork	0.173
R-free	0.19880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a1m
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.119	0.094	1.061
Rmeas	0.131	0.103	1.164
Rpim	0.053	0.043	0.471
Total number of observations	336499
Number of reflections	60774	3225	3033
<I/σ(I)>	6.4
Completeness [%]	99.1	97.2	99.8
Redundancy	5.5	5.2	5.6
CC(1/2)		0.987	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	30% w/v PEG8000, 0.1 M sodium cacodylate trihydrate, pH 6.5