6PYV

Crystal Structure of HLA-B*2703-P47G 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	50.984, 82.793, 109.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.230 - 1.450
R-factor	0.192
Rwork	0.189
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g9d
RMSD bond length	0.010
RMSD bond angle	1.010
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]	28.000	28.000	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.057	0.025	0.827
Total number of observations	499862	2564	24458
Number of reflections	82939	516	4047
<I/σ(I)>	18.3	48.1	2.1
Completeness [%]	99.8	89.1	99.9
Redundancy	6	5	6
CC(1/2)	0.999	0.999	0.633

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