7O00

Crystal structure of HLA-DR4 in complex with a HSP70 peptide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 43 2 2
Unit cell lengths	76.230, 76.230, 170.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.453 - 2.240
Rwork	0.199
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j8h
RMSD bond length	0.010
RMSD bond angle	1.659
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.890	56.890	2.310
High resolution limit [Å]	2.240	8.960	2.240
Rmerge	0.237	0.063	3.474
Rmeas	0.246	0.065	3.605
Rpim	0.066	0.018	0.961
Number of reflections	25047	487	2241
<I/σ(I)>	12
Completeness [%]	99.8
Redundancy	25.6	20.2	26.6
CC(1/2)	0.999	0.999	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		290	0.03 M of each divalent cation (12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) MPD), 0.1 M MOPS/HEPES-Na pH 7.5