6PYW

Crystal Structure of HLA-B*2705-W60A in complex with LRN, a self-peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-27
Detector	ADSC QUANTUM 210
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	50.962, 82.489, 110.024
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.200 - 1.380
R-factor	0.204
Rwork	0.204
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g9d
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.670	36.670	1.400
High resolution limit [Å]	1.380	7.560	1.380
Rmerge	0.053	0.031	0.827
Total number of observations	770543	3681	32004
Number of reflections	95569	588	4403
<I/σ(I)>	20.7	48.3	2.4
Completeness [%]	99.5	87.3	93.9
Redundancy	8.1	6.3	7.3
CC(1/2)	0.999	0.997	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	20-30% PEG 4K, 0.2M Na Acetate and 0.1M Na Citrate pH 5.6