5WJN

Crystal Structure of HLA-A*11:01-GTS3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	C 1 2 1
Unit cell lengths	158.325, 145.522, 106.303
Unit cell angles	90.00, 121.14, 90.00

Refinement procedure

Resolution	45.670 - 2.850
R-factor	0.202
Rwork	0.201
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.990
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.670	48.970	3.000
High resolution limit [Å]	2.850	9.010	2.850
Rmerge	0.147	0.052	0.599
Rmeas		0.083	0.061
Rpim	0.088	0.043	0.031
Total number of observations		5347	27072
Number of reflections	47263
<I/σ(I)>	6.7	14.4	2.1
Completeness [%]	98.2	95.5	100
Redundancy	3.8	3.6	3.9
CC(1/2)	0.980	0.993	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	1.4-1.8M NH4SO4, 0.1M Na-cacodylate pH6.5, 200mM NaCl, 2% Ethylen glycol