5NQ2

'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting IAYERMCNI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92819
Spacegroup name	C 1 2 1
Unit cell lengths	93.478, 80.843, 61.964
Unit cell angles	90.00, 119.66, 90.00

Refinement procedure

Resolution	57.300 - 1.540
R-factor	0.1945
Rwork	0.191
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PHASER
RMSD bond length	0.019
RMSD bond angle	1.951
Data reduction software	xia2 (2.7.17)
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.300	57.300	1.620
High resolution limit [Å]	1.540	4.870	1.540
Rmerge	0.057	0.032	0.660
Rmeas	0.067	0.037	0.764
Rpim	0.034	0.019	0.380
Number of reflections	57504
<I/σ(I)>	12.7
Completeness [%]	97.6	93.6	97.2
Redundancy	3.8	3.6	3.9
CC(1/2)	0.998	0.997	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	JBS Screen, condition F10: 10% Jeffamine M-600, 0.1 M Na Citrate, pH 5.6, 10 mM Ferric(III)Cl