3UTQ

Human HLA-A*0201-ALWGPDPAAA

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	2011-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9778
Spacegroup name	P 1 21 1
Unit cell lengths	53.100, 81.150, 56.550
Unit cell angles	90.00, 112.87, 90.00

Refinement procedure

Resolution	45.587 - 1.670
R-factor	0.1975
Rwork	0.195
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.161
Data reduction software	xia2
Data scaling software	SCALA (3.3.15)
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.587	45.587	1.710
High resolution limit [Å]	1.670	7.470	1.670
Rmerge		0.014	0.570
Total number of observations		2313	14520
Number of reflections	50250
<I/σ(I)>	16.2	41.7	1.4
Completeness [%]	98.1	97.6	94.8
Redundancy	4	3.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	20% w/v PEG3350, 0.2 M potassium/sodium tartrate, 0.1 M Bis-tris propane, pH 6.5, VAPOR DIFFUSION, temperature 291K