7MJ8

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	C 1 2 1
Unit cell lengths	111.700, 79.020, 60.240
Unit cell angles	90.00, 97.14, 90.00

Refinement procedure

Resolution	59.773 - 1.790
R-factor	0.1561
Rwork	0.154
R-free	0.18950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c07
RMSD bond length	0.009
RMSD bond angle	1.021
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]	64.340	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.079	0.530
Number of reflections	48080	2814
<I/σ(I)>	10.7	2.2
Completeness [%]	98.2
Redundancy	5.8
CC(1/2)	0.990	0.880

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