7N6D

HLA peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953731
Spacegroup name	P 31 1 2
Unit cell lengths	85.197, 85.197, 442.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.280 - 2.300
R-factor	0.2144
Rwork	0.213
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gso
RMSD bond length	0.003
RMSD bond angle	0.654
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.210	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.165	1.782
Rmeas	0.160
Rpim	0.060	0.482
Number of reflections	82685	4473
<I/σ(I)>	10.3	1.5
Completeness [%]	99.9	99.95
Redundancy	14	14.4
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	20% PEG3350, 0.2 M sodium thiocyanate