5WLG

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	115.735, 70.210, 116.488
Unit cell angles	90.00, 108.28, 90.00

Refinement procedure

Resolution	47.050 - 2.100
R-factor	0.22
Rwork	0.218
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l8d 1kgc
RMSD bond length	0.008
RMSD bond angle	1.090
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.050	2.140
High resolution limit [Å]	2.100	2.100
Rmerge		0.722
Rpim	0.034	0.346
Number of reflections	103846	5143
<I/σ(I)>	15.3
Completeness [%]	99.9	100
Redundancy	5.2	5.3
CC(1/2)		0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.2	277	18%PEG3350, 2% ethylen glycol, 0.2M CaCl2, 0.1M HEPES pH 7.2