4IS6

Crystal structure of HLA-DR4 bound to GP100 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.502
Spacegroup name	P 21 21 2
Unit cell lengths	90.290, 117.590, 41.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
Rwork	0.265
R-free	0.29800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.454
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.540
High resolution limit [Å]	2.500	6.760	2.500
Rmerge	0.079	0.039	0.337
Number of reflections	14968
<I/σ(I)>	11.1
Completeness [%]	93.0	96.3	71.2
Redundancy	9.7	9.2	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	PEG8000, magnesium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K