5TXS

Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501

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	2016-10-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	50.442, 82.186, 109.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.840 - 1.697
R-factor	0.157
Rwork	0.155
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xr8
RMSD bond length	0.012
RMSD bond angle	1.340
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.096	0.744
Number of reflections	51234
<I/σ(I)>	11.22	1.83
Completeness [%]	99.9	99.3
Redundancy	8.8	8.6
CC(1/2)	0.998	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M HEPES (6.5) 20% PEG 6000