7NZF

Crystal structure of HLA-DR4 in complex with a mutated 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 I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91842
Spacegroup name	P 32 2 1
Unit cell lengths	71.441, 71.441, 138.049
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.951 - 1.900
Rwork	0.221
R-free	0.26670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j8h
RMSD bond length	0.009
RMSD bond angle	1.631
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.070	46.070	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.087	0.044	0.834
Rmeas	0.095	0.049	0.913
Rpim	0.039	0.021	0.370
Number of reflections	32456	23265	2909
<I/σ(I)>	17.5
Completeness [%]	99.0
Redundancy	11.1	8.2	11.5
CC(1/2)	0.999	0.997	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		290	0.1 M MIB buffer pH 4.0, 25 % (w/v) PEG 1500