5C0J

HLA-A02 carrying RQFGPDWIVA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	56.290, 80.130, 56.950
Unit cell angles	90.00, 115.81, 90.00

Refinement procedure

Resolution	42.830 - 1.640
R-factor	0.1813
Rwork	0.179
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3utq
RMSD bond length	0.020
RMSD bond angle	1.964
Data reduction software	XDS
Data scaling software	Aimless (0.1.16)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.830	42.830	1.690
High resolution limit [Å]	1.640	7.350	1.640
Rmerge	0.064	0.029	0.867
Rpim	0.039	0.017	0.538
Total number of observations	198934	2318	14473
Number of reflections	55141
<I/σ(I)>	11.7	31.8	1.8
Completeness [%]	99.6	97	99.9
Redundancy	3.6	3.6	3.6
CC(1/2)	0.997	0.998	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M sodium sulphate, 0.1M BIS TRIS propane, pH 6.5, 20% PEG 3350