7OW3

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	71.854, 117.028, 110.643
Unit cell angles	90.00, 99.30, 90.00

Refinement procedure

Resolution	79.960 - 2.460
R-factor	0.2296
Rwork	0.228
R-free	0.25954
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hn7
RMSD bond length	0.011
RMSD bond angle	1.686
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.960	2.500
High resolution limit [Å]	2.460	2.460
Rmerge	0.189	1.147
Rmeas	0.204	1.231
Rpim	0.074	0.440
Number of reflections	65854	3282
<I/σ(I)>	9.3	2
Completeness [%]	99.9	100
Redundancy	7.5	7.8
CC(1/2)	0.990	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate pH 6, 25% PEG 4000