6MTL

Crystal Structure of HLA-B*44:05 in complex with NP338 influenza peptide

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	2013-08-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	82.188, 110.524, 50.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.610 - 1.350
R-factor	0.193
Rwork	0.192
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gso
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.952	1.420
High resolution limit [Å]	1.350	1.350
Rpim	0.038	0.304
Number of reflections	101079	13835
<I/σ(I)>	10.8
Completeness [%]	98.8	93.9
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	20% PEG6000, 0.2M NaCl, 0.1M Na citrate pH 6.5