8I5E

Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVGAGGVGK)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	49.140, 67.697, 73.100
Unit cell angles	90.00, 100.88, 90.00

Refinement procedure

Resolution	39.300 - 2.200
R-factor	0.1849
Rwork	0.182
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s8q
RMSD bond length	0.007
RMSD bond angle	0.907
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.125	1.103
Number of reflections	23921	2361
<I/σ(I)>	14.8
Completeness [%]	99.9
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M Tris. 8.0. 25% v/v PEG 350 MME.