8P0I

Crystal structure of the open conformation of insulin-regulated aminopeptidase in complex with a small-MW 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	68.229, 255.121, 73.274
Unit cell angles	90.00, 110.00, 90.00

Refinement procedure

Resolution	64.110 - 3.500
Rwork	0.240
R-free	0.27670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.092
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.110	3.500
High resolution limit [Å]	3.500	3.500
Rmerge	0.076	0.823
Rmeas	0.107	1.164
Rpim	0.076	0.823
Number of reflections	29554	2970
<I/σ(I)>	7.85	1.09
Completeness [%]	99.7	99.97
Redundancy	2	2
CC(1/2)	0.997	0.426

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	289	0.1M SPG buffer (Succinic acid, Phosphate, Glycine), pH 9.0 and 25% (w/v) polyethylene glycol (PEG)