7X1C

Crystal structure of peptide VSFIEFVI in complex with HLA-B5801

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-21
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	50.721, 82.163, 110.081
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.081 - 1.409
R-factor	0.1514
Rwork	0.150
R-free	0.18030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7x00
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.081	1.460
High resolution limit [Å]	1.409	1.409
Number of reflections	89411	8755
<I/σ(I)>	17.65
Completeness [%]	99.9
Redundancy	7.2
CC(1/2)	0.999	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	0.04 M Citric acid, 0.06 M BIS-TRIS propane, 20% w/v Polyethylene glycol 3350