6O4Z

Structure of HLA-A2:01 with peptide MM92

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	56.134, 79.689, 57.442
Unit cell angles	90.00, 116.27, 90.00

Refinement procedure

Resolution	28.650 - 1.500
R-factor	0.175
Rwork	0.174
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5enw
RMSD bond length	0.005
RMSD bond angle	1.260
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	1.530
High resolution limit [Å]	1.500	3.700	1.500
Rmerge	0.044	0.021	0.489
Rmeas	0.052	0.025	0.589
Rpim	0.027	0.013	0.322
Number of reflections	70589	4796	4571
<I/σ(I)>	10.3
Completeness [%]	97.8	97.5	95.3
Redundancy	3.6	3.4	3.2
CC(1/2)		0.999	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295.15	30% PEG 4000, 0.1M TRIS-HCL PH 8.0, 0.2M LITHIUM SULFATE