6PBH

Crystal Structure of HLA-A*68:01 in complex with NP145-156, a 12 mer influenza peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	59.750, 79.004, 112.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.670 - 1.890
R-factor	0.197
Rwork	0.195
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hwz
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.660	2.000
High resolution limit [Å]	1.890	1.890
Rmerge	0.098	0.679
Rmeas	0.105	0.053
Rpim	0.039	0.021
Total number of observations	312069	45060
Number of reflections	43283	6199
<I/σ(I)>	13.3	3.3
Completeness [%]	99.9	99.4
Redundancy	7.2	7.3
CC(1/2)	0.998	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	277	8-14%PEG3350, 0.1M NaCl, 0.1M Hepes pH 7.4, 20mM MgCl2, 5mM CdCl2