5SWQ

Crystal Structure of HLA-A*0201 in complex with NA231, an influenza epitope

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	2010-07-30
Detector	ADSC QUANTUM 210
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	51.450, 80.060, 55.000
Unit cell angles	90.00, 111.36, 90.00

Refinement procedure

Resolution	19.788 - 2.000
R-factor	0.1974
Rwork	0.194
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gso
RMSD bond length	0.008
RMSD bond angle	1.165
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000		2.100
High resolution limit [Å]	2.000	10.000	2.000
Rmerge	0.105	0.035	0.437
Number of reflections	27785
<I/σ(I)>	10.57	36.43	3.15
Completeness [%]	98.6	78.5	99.4
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	20%PEG6K, 0.1M Na-Citrate pH6.5, 0.2M NaCl