8HT9

CRYSTAL STRUCTURE OF BAT MHC CLASS I MYLU-B-67 FOR 2.2 ANGSTROM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	64.926, 80.431, 82.125
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.070 - 2.200
R-factor	0.21368
Rwork	0.212
R-free	0.25273
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.631
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.120	0.325
Number of reflections	23537	1499
<I/σ(I)>	13.105
Completeness [%]	99.7
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	300	0.2 M Ammonium sulfate 0.1 M Tris 12 % w/v PEG 8000