6O9C

Crystal structure of HLA-A3*01 in complex with a mutant beta-catenin peptide

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	2018-03-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.918394
Spacegroup name	P 6 2 2
Unit cell lengths	155.123, 155.123, 85.316
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.780 - 2.450
R-factor	0.216
Rwork	0.214
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o9b
RMSD bond length	0.010
RMSD bond angle	1.619
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.780	44.780	2.520
High resolution limit [Å]	2.450	10.980	2.450
Rmerge	0.172	0.050	1.396
Rmeas	0.177	0.052	1.434
Total number of observations	409173
Number of reflections	22620	310	1632
<I/σ(I)>	13.89	36.76	2.14
Completeness [%]	99.9	95.7	99.7
Redundancy	18.089	14.3	18.839
CC(1/2)	0.998	0.999	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	0.1 M MES, pH 6.5, 0.2 M ammonium sulfate, 30% PEG5000 MME