5NQ3

'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-07
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	59.301, 59.696, 66.443
Unit cell angles	81.48, 67.62, 68.60

Refinement procedure

Resolution	61.440 - 1.570
R-factor	0.21989
Rwork	0.218
R-free	0.26232
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5qq3
RMSD bond length	0.017
RMSD bond angle	1.818
Data reduction software	xia2 (2.6.1)
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.440	1.610
High resolution limit [Å]	1.570	1.570
Rmerge	0.060	0.665
Number of reflections	105240
<I/σ(I)>	5.7
Completeness [%]	96.0	93.3
Redundancy	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	JBS screen, condition A07: 30% MPD, 100 mM Na Citrate, pH 5.6, 200 mM Ammonium Acetate