5WLI

Crystal Structure of H-2Db with the GAP501 peptide (SQL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	53.271, 159.924, 108.461
Unit cell angles	90.00, 92.33, 90.00

Refinement procedure

Resolution	48.560 - 2.200
R-factor	0.211
Rwork	0.209
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.040
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	2.240
High resolution limit [Å]	2.200	2.200
Rmerge		0.452
Rpim	0.039	0.240
Number of reflections	91644	4438
<I/σ(I)>	16.2
Completeness [%]	99.8	96.9
Redundancy	4.6	4.3
CC(1/2)		0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	25-30%PEG8000, 0.1M Tris-HCl pH8.5, 0.2M LiSO4