7PFS

Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide ((1R)-1-Amino-3-phenylpropyl){2-([1,1:3,1-terphenyl]-5-ylmethyl)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)-amino]-3-oxopropyl}phosphinic acid

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	2019-08-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	75.135, 133.822, 128.703
Unit cell angles	90.00, 90.28, 90.00

Refinement procedure

Resolution	65.030 - 2.700
R-factor	0.1908
Rwork	0.188
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ab0
RMSD bond length	0.011
RMSD bond angle	1.408
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3219)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.030	2.797
High resolution limit [Å]	2.700	2.700
Rmerge	0.044
Rpim	0.044
Number of reflections	61923	3318
<I/σ(I)>	10.76	1.72
Completeness [%]	88.6
Redundancy	2
CC(1/2)	0.998	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	10% w/v PEG 8000, 20% v/v ethylene glycol, 0.02M of each monosaccharide (0.2M D-glucose, 0.2M D-mannose, 0.2M D-galactose,0.2M L-fucose, 0.2M D-xylose, 0.2M N-acetyl-D-glucosamine), 0.1M MES/imidazole pH 6.5