5OPI

Crystal structure of the TAPBPR-MHC I peptide editing complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99999815963
Spacegroup name	P 65 2 2
Unit cell lengths	205.040, 205.040, 121.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.249 - 3.300
R-factor	0.2451
Rwork	0.242
R-free	0.30270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ws6 2yxf 3f8u
RMSD bond length	0.007
RMSD bond angle	1.547
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2747: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.250	3.400
High resolution limit [Å]	3.300	3.300
Number of reflections	23094
<I/σ(I)>	8.81	0.64
Completeness [%]	99.9	99.8
Redundancy	26.5	27.9
CC(1/2)	0.997	0.309

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	19% PEG400, 5% poly-gamma-glutamic acid, and 450 mM sodium cacodylate pH 6.5