6MT6

Crystal Structure of HLA-B*37:01 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	2013-07-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	50.880, 81.789, 110.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.180 - 1.310
R-factor	0.173
Rwork	0.172
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gso
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.190	1.380
High resolution limit [Å]	1.310	1.310
Rmerge	0.091	0.757
Rmeas	0.098	0.060
Rpim	0.037	0.025
Total number of observations	802119	113954
Number of reflections	111938	16061
<I/σ(I)>	13.3	3.4
Completeness [%]	99.8	99.1
Redundancy	7.2	7.1
CC(1/2)	0.997	0.785

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