5VZ5

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 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	77
Detector technology	PIXEL
Collection date	2017-04-28
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97741
Spacegroup name	P 61 2 2
Unit cell lengths	112.890, 112.890, 177.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	97.766 - 2.590
R-factor	0.2185
Rwork	0.216
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xr8
RMSD bond length	0.008
RMSD bond angle	1.000
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]	97.770	2.710
High resolution limit [Å]	2.590	2.590
Rmerge	0.100	1.350
Number of reflections	21507	2547
<I/σ(I)>	14.6	1.9
Completeness [%]	100.0	100
Redundancy	9.6	9.8
CC(1/2)	0.998	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	0.1M Hepes (7.5) 2M Ammonium sulfate 2% PEG400