6MT4

Crystal Structure of HLA-B*37:01 in complex with NP338-L7S 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	2013-07-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	50.973, 81.720, 110.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.280 - 1.550
R-factor	0.221
Rwork	0.219
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gso
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.720	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.166	0.680
Total number of observations	457612	24177
Number of reflections	66469	3333
<I/σ(I)>	7.9	2.1
Completeness [%]	98.1	100
Redundancy	6.9	7.3
CC(1/2)	0.953	0.808

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