5NQ0

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

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	2017-01-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	41.616, 46.340, 66.735
Unit cell angles	104.36, 101.21, 102.20

Refinement procedure

Resolution	39.270 - 1.100
R-factor	0.18999
Rwork	0.189
R-free	0.20852
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qq3
RMSD bond length	0.019
RMSD bond angle	2.127
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.280	1.130
High resolution limit [Å]	1.100	1.100
Rmerge	0.086	0.179
Number of reflections	170825	11419
<I/σ(I)>	6	1.1
Completeness [%]	92.3	83.1
Redundancy	1.9	1.7
CC(1/2)	0.998	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PACT screen, condition A09: 0.2 M LiCl, 0.1 M Sodium Acetate, pH 5.0, 20% PEG 6000