6RYF

High-resolution crystal structure of ERAP1 in complex with 15mer phosphinic peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9763
Spacegroup name	P 2 21 21
Unit cell lengths	57.693, 117.157, 146.598
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.520 - 1.720
R-factor	0.1768
Rwork	0.176
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yd0
RMSD bond length	0.007
RMSD bond angle	0.874
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.520	1.750
High resolution limit [Å]	1.720	1.720
Number of reflections	106245	5264
<I/σ(I)>	12.5
Completeness [%]	100.0	99.98
Redundancy	8
CC(1/2)	0.999	0.368

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM propionic acid, cacodylate and Bis-tris propane pH 7.0, 25% PEG 1500