7OW4

Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	117.224, 121.432, 127.863
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.050 - 1.810
R-factor	0.22111
Rwork	0.220
R-free	0.24917
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hn7
RMSD bond length	0.009
RMSD bond angle	1.482
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]	88.050	1.840
High resolution limit [Å]	1.810	1.810
Rmerge	0.260	4.611
Rmeas	0.269	4.778
Rpim	0.069	1.244
Number of reflections	166212	8252
<I/σ(I)>	8.7	0.7
Completeness [%]	100.0	100
Redundancy	15.1	14.5
CC(1/2)	0.998	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Lithium sulfate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3500