8F7M

Crystal Structure of HLA-B*57:01-TW10-T242N 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	2020-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	50.942, 82.174, 110.833
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.950 - 1.880
R-factor	0.1744
Rwork	0.172
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.066
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.290	1.920
High resolution limit [Å]	1.880	1.880
Rmerge	0.177	1.232
Rmeas	0.190	1.319
Rpim	0.069	0.468
Total number of observations	293231	19225
Number of reflections	38624	2428
<I/σ(I)>	10.2	3.1
Completeness [%]	99.9
Redundancy	7.6	7.9
CC(1/2)	0.994	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20 % w/v PEG4000, 0.2 M ammonium acetate, 0.1 M sodium cacodylate