5EUO

PF6-M1-HLA-A2

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]	80
Detector technology	CCD
Collection date	2015-11-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	134.744, 54.082, 149.296
Unit cell angles	90.00, 116.61, 90.00

Refinement procedure

Resolution	120.472 - 2.100
R-factor	0.2302
Rwork	0.229
R-free	0.28060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oga
RMSD bond length	0.009
RMSD bond angle	1.203
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	133.480	133.480	2.140
High resolution limit [Å]	2.100	11.500	2.100
Rmerge	0.144	0.033	1.757
Rpim	0.057	0.014	0.683
Total number of observations	844017	4819	41546
Number of reflections	113120
<I/σ(I)>	11.7	42.3	1.2
Completeness [%]	100.0	96.5	99.9
Redundancy	7.5	6.5	7.5
CC(1/2)	0.998	0.999	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	PEG3350, Imidazole