8CGP

Insulin regulated aminopeptidase (IRAP) in complex with an allosteric aryl sulfonamide inhibitor

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	2019-08-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	73.443, 119.074, 141.643
Unit cell angles	90.00, 102.77, 90.00

Refinement procedure

Resolution	45.790 - 2.620
Rwork	0.170
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.068
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.790	2.720
High resolution limit [Å]	2.600	2.620
Rmerge	0.085
Rmeas	0.120
Rpim	0.085
Number of reflections	65118	3597
<I/σ(I)>	7.95	1.6
Completeness [%]	90.1	54.33
Redundancy	1.9	1.9
CC(1/2)	0.987	0.445

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	278.15	0.1M MMT (Malic acid, MES, Tris) 25% w/v PEG 1500 20% EG