6D2R

HLA-B*57:01 presenting GSFDYSGVHLW

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	2018-02-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	50.548, 81.441, 109.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.721 - 1.830
R-factor	0.1721
Rwork	0.170
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t6y
RMSD bond length	0.004
RMSD bond angle	0.863
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1690)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.830	1.830
Rmerge	0.043	0.270
Number of reflections	40072	5653
<I/σ(I)>	24.6	6.4
Completeness [%]	98.7	96.6
Redundancy	5.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	294	18 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4.