6O4Y

Structure of HLA-A2:01 with peptide MM91

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	52.990, 80.861, 56.933
Unit cell angles	90.00, 113.32, 90.00

Refinement procedure

Resolution	32.000 - 1.580
R-factor	0.18
Rwork	0.179
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5enw
RMSD bond length	0.006
RMSD bond angle	1.299
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.620
High resolution limit [Å]	1.580	3.710	1.580
Rmerge	0.054	0.045	0.350
Rmeas	0.064	0.053	0.429
Rpim	0.033	0.027	0.242
Number of reflections	58659	4688	4114
<I/σ(I)>	9.4
Completeness [%]	96.5	98.2	88.4
Redundancy	3.4	3.6	2.8
CC(1/2)		0.995	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	30% PEG 4000, 0.1M TRIS-HCL PH 8.5, 0.2M LITHIUM SULFATE