6T3Y

Improved High Resolution Structure of MHC Class II complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	154.153, 60.002, 51.713
Unit cell angles	90.00, 108.75, 90.00

Refinement procedure

Resolution	26.850 - 1.700
R-factor	0.1747
Rwork	0.172
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x5w
RMSD bond length	0.013
RMSD bond angle	1.122
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.17rc4_3626)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.850	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.052	0.710
Rmeas	0.057	0.780
Rpim	0.023	0.310
Number of reflections	294236	29547
<I/σ(I)>	18.4	2.3
Completeness [%]	99.8	99.6
Redundancy	6	6
CC(1/2)	1.000	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M Na Acetate 0.1 M TRIS 30 %w/v PEG 4K