8TBP

HLA-DRB1*15:01 in complex with smith antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	77
Detector technology	CCD
Collection date	2022-08-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95373
Spacegroup name	P 43 21 2
Unit cell lengths	95.080, 95.080, 294.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.931 - 3.126
R-factor	0.205258999018
Rwork	0.203
R-free	0.25340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.732
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.931	3.330
High resolution limit [Å]	3.120	3.120
Rpim	0.136
Number of reflections	24942	4343
<I/σ(I)>	7.7	1.8
Completeness [%]	99.6
Redundancy	16
CC(1/2)	0.989	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2M Disodium Malon 20% w/v PEG 3350