5UJT

Crystal structure of human HLA-DQ8 in complex with insulin mimotope binding in register 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979500
Spacegroup name	P 21 21 21
Unit cell lengths	72.038, 138.767, 159.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.870 - 1.940
R-factor	0.21
Rwork	0.209
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jk8
RMSD bond length	0.008
RMSD bond angle	1.098
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	79.868
High resolution limit [Å]	1.940
Number of reflections	118542
<I/σ(I)>	50
Completeness [%]	99.6
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	278	15% PEG3350, 100mM Tacsimate