8DVG

Structure of KRAS WT(7-16)-HLA-A*03:01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97931
Spacegroup name	P 6 2 2
Unit cell lengths	152.893, 152.893, 85.195
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.648 - 2.594
R-factor	0.1931
Rwork	0.191
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o9b
RMSD bond length	0.002
RMSD bond angle	0.517
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	MOLREP
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.650	19.650	2.660
High resolution limit [Å]	2.590	11.620	2.600
Rmerge	0.240	0.071	1.186
Rmeas	0.252	0.075	1.250
Number of reflections	18625	206	1330
<I/σ(I)>	8.97
Completeness [%]	99.5
Redundancy	10.3
CC(1/2)	0.993	0.998	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M ammonium sulfate 0.1M sodium cacodylate pH 6.5 30 % w/v PEG 8,000