3LKR

Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 2009 H1N1 swine origin strain

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	2009-10-22
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	50.557, 81.913, 109.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.630 - 2.000
R-factor	0.218
Rwork	0.215
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fyy
RMSD bond length	0.016
RMSD bond angle	1.551
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.630		2.100
High resolution limit [Å]	2.000	10.000	2.000
Rmerge	0.093	0.028	0.430
Number of reflections	30849	234	4195
<I/σ(I)>	12.42	36.4	3.4
Completeness [%]	97.8	77.5	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	15-25% PEG 4000, 0.2M NH4Acetate, 0.1M Na-Citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K