6MT3

Crystal Structure of HLA-B*18:01 in complex with NP338 influenza peptide

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	2014-02-08
Detector	ADSC QUANTUM 210
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	50.833, 81.553, 110.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.200 - 1.210
R-factor	0.193
Rwork	0.192
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gso
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.190	1.230
High resolution limit [Å]	1.210	1.210
Rmerge	0.093	0.702
Total number of observations	984959	40588
Number of reflections	140506	6636
<I/σ(I)>	11.8	2.4
Completeness [%]	99.6	95.8
Redundancy	7	6.1
CC(1/2)	0.997	0.755

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