6AT9

Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-A*0101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	77
Detector technology	PIXEL
Collection date	2017-08-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.12
Spacegroup name	P 32 2 1
Unit cell lengths	81.410, 81.410, 118.281
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.310 - 2.950
R-factor	0.2324
Rwork	0.224
R-free	0.30730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w72
RMSD bond length	0.003
RMSD bond angle	0.720
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.310	3.130
High resolution limit [Å]	2.950	2.950
Rmerge	0.094	0.770
Number of reflections	9982	1590
<I/σ(I)>	16.2	3
Completeness [%]	99.8	99.4
Redundancy	8.3	7.9
CC(1/2)	0.998	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.18M MgCl2, 0.1M Na-HEPES(7.5),27%PEG400, 10%Glycerol