6O51

Structure of HLA-A2:01 with peptide MM90

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	2019-02-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	56.260, 79.467, 57.251
Unit cell angles	90.00, 115.96, 90.00

Refinement procedure

Resolution	31.470 - 1.550
R-factor	0.1939
Rwork	0.192
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5enw
RMSD bond length	0.006
RMSD bond angle	1.283
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	1.590
High resolution limit [Å]	1.550	3.820	1.550
Rmerge	0.047	0.031	0.368
Rmeas	0.056	0.037	0.457
Rpim	0.030	0.020	0.265
Number of reflections	63926	4417	3897
<I/σ(I)>	8.8
Completeness [%]	97.0	98.4	88.9
Redundancy	3.3	3.4	2.6
CC(1/2)		0.997	0.837

Crystallization Conditions

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