6PYJ

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

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	CCD
Collection date	2015-08-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9540
Spacegroup name	P 21 21 21
Unit cell lengths	50.780, 82.704, 104.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.800 - 1.440
R-factor	0.203
Rwork	0.202
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g9d
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.710	45.710	1.460
High resolution limit [Å]	1.440	7.890	1.440
Rmerge	0.090	0.025	1.039
Total number of observations	586220	3345	27692
Number of reflections	80761	571	3937
<I/σ(I)>	16.8	60.8	2.1
Completeness [%]	100.0	97.9	99.9
Redundancy	7.3	5.9	7
CC(1/2)	0.999	0.999	0.597

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