8PJF

Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	91.350, 134.430, 40.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.140 - 1.480
R-factor	0.1684
Rwork	0.167
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.401
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.140	1.530
High resolution limit [Å]	1.480	1.480
Rmerge	0.080	1.627
Rmeas	0.086	1.755
Rpim	0.032	0.653
Number of reflections	83579	8248
<I/σ(I)>	12.79	1.49
Completeness [%]	99.7	99.92
Redundancy	7.1	7.1
CC(1/2)	0.998	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M MES pH 7.0, 25 % PEG4000, 0.2 M ammonium sulphate