3PGD

Crystal Structure of HLA-DR1 with CLIP106-120, canonical 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	2010-06-09
Detector	Rayonix
Wavelength(s)	0.91841
Spacegroup name	P 43 21 2
Unit cell lengths	94.449, 94.449, 275.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.393 - 2.720
R-factor	0.1983
Rwork	0.196
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.132
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.790
High resolution limit [Å]	2.720	12.160	2.720
Rmerge	0.131	0.038	0.873
Number of reflections	34493	447	2513
<I/σ(I)>	12.19	22.1	2.2
Completeness [%]	99.9	93.7	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	PEG 3350, NaCitrate, BisTris propane, pH 6.5, vapor diffusion, sitting drop, temperature 277K