7MJ9

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03316
Spacegroup name	P 1 21 1
Unit cell lengths	53.940, 80.130, 57.740
Unit cell angles	90.00, 114.28, 90.00

Refinement procedure

Resolution	52.630 - 1.750
R-factor	0.1622
Rwork	0.160
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c07
RMSD bond length	0.011
RMSD bond angle	1.120
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.630	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.077	0.383
Number of reflections	44403	2298
<I/σ(I)>	10.8	2.6
Completeness [%]	98.4
Redundancy	6.2
CC(1/2)	0.990	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Magnesium Chloride, 0.1 M HEPES pH 7, 20 % PEG 6000