5NQ1

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	59.388, 60.288, 65.645
Unit cell angles	81.24, 67.59, 67.94

Refinement procedure

Resolution	55.870 - 2.140
R-factor	0.2226
Rwork	0.220
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qq3
RMSD bond length	0.018
RMSD bond angle	1.931
Data reduction software	DIALS (2.6.1)
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.870	55.870	2.200
High resolution limit [Å]	2.140	9.570	2.140
Rmerge	0.128	0.038	0.669
Rmeas	0.172	0.050	0.910
Rpim	0.115	0.031	0.614
Total number of observations	79873	1023	5623
Number of reflections	41686
<I/σ(I)>	3.4	5.7	1.7
Completeness [%]	96.9	99.4	96
Redundancy	1.9	2.1	1.9
CC(1/2)	0.979	0.995	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PACT screen, condition D02: 0.1M MMT Buffer, pH 5.0, 25% PEG1500