7MJ7

HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide

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]	100
Detector technology	PIXEL
Collection date	2018-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.11583
Spacegroup name	P 1 21 1
Unit cell lengths	50.929, 79.150, 54.650
Unit cell angles	90.00, 111.33, 90.00

Refinement procedure

Resolution	50.906 - 1.600
R-factor	0.1633
Rwork	0.162
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c07
RMSD bond length	0.009
RMSD bond angle	1.045
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.910	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.106	0.904
Number of reflections	52628	2609
<I/σ(I)>	9.1	1.9
Completeness [%]	98.8
Redundancy	6
CC(1/2)	0.990	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1M Sodium Citrate Dibasic, 0.1M Sodium Cacodylate pH 6.5