3LKQ

Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1977 strain

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	2009-11-11
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	51.330, 81.990, 110.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.830 - 1.800
R-factor	0.199
Rwork	0.198
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fyy
RMSD bond length	0.012
RMSD bond angle	1.303
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]	65.830		1.900
High resolution limit [Å]	1.800	10.000	1.800
Rmerge	0.070	0.022	0.554
Number of reflections	43813	252	6526
<I/σ(I)>	17.57	45.1	3.4
Completeness [%]	99.6	81.6	99.9

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