9L4G

Crystal structure of HLA-C*14:03 complexed with 8-mer HIV gag peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	95
Detector technology	CCD
Collection date	2024-05-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	I 1 2 1
Unit cell lengths	63.210, 78.510, 83.805
Unit cell angles	90.00, 100.89, 90.00

Refinement procedure

Resolution	41.150 - 2.700
R-factor	0.205
Rwork	0.199
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.505
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.150	2.797
High resolution limit [Å]	2.700	2.700
Rmerge	0.132	0.369
Rmeas	0.162	0.464
Rpim	0.092	0.276
Number of reflections	9419	905
<I/σ(I)>	6.13	2.33
Completeness [%]	84.4	80.37
Redundancy	2.8	2.4
CC(1/2)	0.894	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	6% v/v 2-Propanol, 0.1 M Sodium acetate trihydrate pH 4.5 and 26% v/v Polyethylene glycol monomethyl ether 550