3LKN

Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1918 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	51.220, 82.290, 110.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.090 - 2.000
R-factor	0.216
Rwork	0.214
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fyy
RMSD bond length	0.015
RMSD bond angle	1.454
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]	66.090		2.100
High resolution limit [Å]	2.000	10.000	2.000
Rmerge	0.102	0.031	0.481
Number of reflections	32333	261	4336
<I/σ(I)>	17.21	46.2	5.1
Completeness [%]	99.8	84.2	99.8

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