5WJL

Crystal Structure of HLA-A*11:01 with GTS1 peptide

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	155.500, 150.198, 105.829
Unit cell angles	90.00, 120.53, 90.00

Refinement procedure

Resolution	46.900 - 3.150
R-factor	0.1798
Rwork	0.177
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gso
RMSD bond length	0.010
RMSD bond angle	1.240
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]	46.900	49.090	3.320
High resolution limit [Å]	3.150	9.960	3.150
Rmerge	0.099	0.019	0.823
Rmeas		0.029	0.022
Rpim	0.054	0.014	0.011
Number of reflections	36207
<I/σ(I)>	14.8
Completeness [%]	99.9	97.3	99.9
Redundancy	4.3	3.9	4.3
CC(1/2)	0.100	0.999	0.722

Crystallization Conditions

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