3PGC

Crystal Structure of HLA-DR1 with CLIP106-120, flipped peptide orientation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-03
Detector	Rayonix
Wavelength(s)	0.91841
Spacegroup name	P 31 2 1
Unit cell lengths	138.146, 138.146, 104.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.537 - 2.660
R-factor	0.2009
Rwork	0.198
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.132
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.537	34.537	2.730
High resolution limit [Å]	2.660	11.900	2.660
Rmerge	0.081	0.025	0.679
Number of reflections	33394	397	2417
<I/σ(I)>	17.96	42.8	3
Completeness [%]	99.9	93.4	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	PEG 1500, MIB buffer, pH 6.0, vapor diffusion, sitting drop, temperature 298K