7NZE

Crystal structure of HLA-DR4 in complex with a human collagen type II peptide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	122.418, 71.840, 125.721
Unit cell angles	90.00, 111.33, 90.00

Refinement procedure

Resolution	47.009 - 2.050
Rwork	0.192
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bil
RMSD bond length	0.013
RMSD bond angle	1.844
Data reduction software	REFMAC (5.8.0267)
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.009	46.960	2.100
High resolution limit [Å]	2.050	9.170	2.050
Number of reflections	62583	4643	710
<I/σ(I)>	8.2
Completeness [%]	98.1
Redundancy	1	1	1
CC(1/2)	0.999	0.999	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		290	20% polyethylene glycol 3350 and 200 mM ammonium chloride