6JQ3

Crystal Structure of H2-Kb in complex with a DPAGT1 mutant peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2018-01-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	106.630, 67.970, 70.730
Unit cell angles	90.00, 103.86, 90.00

Refinement procedure

Resolution	68.670 - 2.500
R-factor	0.2243
Rwork	0.216
R-free	0.29640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.519
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.670	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.028	0.198
Number of reflections	16646	1679
<I/σ(I)>	11.6	2.85
Completeness [%]	97.0	99
Redundancy	2	2
CC(1/2)		0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	4% v/v Tacsimate (pH 7.0), 12% w/v Polyethylene glycol 3,350