4D0D

COMPLEX OF A B2 CHICKEN MHC CLASS I MOLECULE AND A 8MER CHICKEN PEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Collection date	2011-12-10
Spacegroup name	P 21 21 21
Unit cell lengths	88.080, 92.540, 223.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.950 - 3.130
R-factor	0.2928
Rwork	0.292
R-free	0.29860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2YF6
RMSD bond length	0.007
RMSD bond angle	0.820
Data reduction software	XDS (THROUGH XIA2)
Data scaling software	Aimless (THROUGH XIA2)
Phasing software	PHASER
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.080	3.210
High resolution limit [Å]	3.130	3.130
Rmerge	0.180	0.690
Number of reflections	32916
<I/σ(I)>	8.8	2.1
Completeness [%]	99.6	98.8
Redundancy	4.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.1M MMT BUFFER, PH 7.0, 25% W/V PEG 1500