6BIZ

HLA-DRB1 in complex with citrullinated Histone 2B peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	68.185, 182.599, 76.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.246 - 2.100
R-factor	0.1878
Rwork	0.186
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mdi
RMSD bond length	0.008
RMSD bond angle	0.872
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.090	2.180
High resolution limit [Å]	2.100	2.050
Rmerge	0.035	0.880
Number of reflections	31731
<I/σ(I)>	12.5
Completeness [%]	99.4
Redundancy	7.2
CC(1/2)	0.998	0.191

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	294	22-28% PEG 3350, 0.2M Potassium Nitrate, 0.1M Bis-Tris-Propane pH 7.3