7ZYF

Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based 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)	0.976260
Spacegroup name	P 1 21 1
Unit cell lengths	73.478, 120.051, 141.246
Unit cell angles	90.00, 103.28, 90.00

Refinement procedure

Resolution	137.470 - 2.810
R-factor	0.2734
Rwork	0.271
R-free	0.31430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mj6
RMSD bond length	0.005
RMSD bond angle	0.899
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]	137.500	2.910
High resolution limit [Å]	2.810	2.810
Rmerge	0.102
Number of reflections	58003	5657
<I/σ(I)>	6.56	2.62
Completeness [%]	99.6	97.92
Redundancy	2
CC(1/2)	0.951	0.500

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