7NZH

Crystal structure of HLA-DR4 in complex with a citrullinated cilp peptide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	97.277, 112.244, 212.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.698 - 2.831
Rwork	0.244
R-free	0.28330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bil
RMSD bond length	0.013
RMSD bond angle	1.622
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]	56.120	56.120	2.980
High resolution limit [Å]	2.830	8.950	2.830
Rmerge	0.151	0.042	1.617
Rmeas	0.164	0.045	1.749
Rpim	0.061	0.017	0.659
Number of reflections	27807	3932	971
<I/σ(I)>	14.4
Completeness [%]	98.6
Redundancy	13.3	11.5	13.2
CC(1/2)	0.998	0.999	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		290	0.1M sodium acetate trihydrate pH 5.5, 0.2M lithium chloride, 18% (w/v) PEG6000