7NUP

Endoplasmic reticulum aminopeptidase 2 complexed with a mixed hydroxamic and sulfonyl ligand

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	2019-08-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	74.273, 127.186, 133.412
Unit cell angles	90.92, 90.08, 90.87

Refinement procedure

Resolution	48.664 - 3.100
R-factor	0.1858
Rwork	0.182
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ab0
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.664	3.142
High resolution limit [Å]	3.100	3.100
Number of reflections	73659	1151
<I/σ(I)>	1.6
Completeness [%]	83.2	35
Redundancy	3.2
CC(1/2)	0.921	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	10% w/v PEG 8000, 20% v/v ethylene glycol, 0.03M of each halide (sodium fluoride, sodium bromide, sodium iodide), 0.1M MES/imidazole pH 6.5